*HEADER    CELL ADHESION                           15-SEP-05   2B0Y              
*TITLE     SOLUTION STRUCTURE OF A PEPTIDE MIMETIC OF THE FOURTH                 
*TITLE    2 CYTOPLASMIC LOOP OF THE G-PROTEIN COUPLED CB1 CANNABINOID            
*TITLE    3 RECEPTOR                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CANNABINOID RECEPTOR 1;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FRAGMENT OF THE C-TERMINAL JUXTRAMEMBRANE REGION           
*COMPND   5 OF CB1 CANNABINOID RECEPTOR(INTRACELLULAR 4TH LOOP REGION            
*COMPND   6 CB1 401-417);                                                        
*COMPND   7 SYNONYM: CB1, CB-R, CANN6;                                           
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SOURCE IS NATURALLY FOUND IN HOMO SAPIENS (HUMAN).                   
*KEYWDS    CELL SURFACE RECEPTORS; G-PROTEIN COUPLED RECEPTORS; CB1              
*KEYWDS   2 CANNABINOID RECEPTORS; GTP-BINDING PROTEINS; TWO-                    
*KEYWDS   3 DIMENSIONAL PROTON NUCLEAR MAGNETIC RESONANCE (2D 1H-NMR)            
*KEYWDS   4 SPECTROSCOPY; DQF-COSY; TOCSY; NOESY; ROESY; SODIUM                  
*KEYWDS   5 DODECYLSULFATE (SDS) MICELLES; SIGNAL TRANSDUCTION                   
*KEYWDS   6 MECHANISMS                                                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    R.C.R.GRACE, S.M.COWSIK, J.Y.SHIM, W.J.WELSH, A.C.HOWLETT             
*REVDAT   2   19-SEP-06 2B0Y    1   UPDATED CONSTRAINT FILE        
*REVDAT   1   29-AUG-06 2B0Y    0                                                
  1 ARG 
         HA      2 SER  HN      3.50
         QB	 3 LYS  HN	4.50
  2 SER
         HN	 3 LYS  HN      2.80
 	 HA	 3 LYS  HN	3.50
  	 QB	 3 LYS  HN	4.00
  3 LYS	 
	 HN	 4 ASP  HN      2.80
	 HA	 4 ASP  HN	3.50	
	 HA	 5 LEU  HN	4.50
  	 QB	 4 ASP  HN	4.50
  4 ASP
         HA	 8 ALA  HN      5.00
         HA	 7 HIS  HN	3.40
	 HA	 6 ARG  HN	3.80
	 HN	 5 LEU  HN	2.80
	 HA	 5 LEU	HN	3.50
         HA	 7 HIS  QB	4.50
 	 HB2	 5 LEU	HN	3.50
         HB3	 5 LEU	HN	3.50
  5 LEU 
	 HN	 6 ARG  HN	2.80
	 HN	 7 HIS  HN	4.20
         HA	 8 ALA  HN      3.40
	 HA	 7 HIS  HN	3.80
	 HA	 6 ARG	HN	3.50
         HA	 8 ALA  QB      4.50
  	 QB	 6 ARG	HN	3.50
  6 ARG
	 HN	 7 HIS  HN	2.80
	 HA      7 HIS  HN	3.50
	 HA	 9 PHE  HN	3.40
         HA	 9 PHE  QB	4.50
  	 HA	 8 ALA  HN	3.80
  	 HN	 8 ALA  HN	4.20
  	 QB      7 HIS  HN	3.50
  7 HIS	 
	 HN	 8 ALA	HN	2.80
	 HN	 9 PHE	HN	4.20
         HA	 8 ALA  HN	3.40
	 HA	 9 PHE	HN	3.80
	 HA	10 ARG	HN	3.40
         HA	10 ARG	QB	4.50
   	 QB	 8 ALA  HN	3.50
  8 ALA  
 	 HN	 9 PHE  HN	2.80
	 HA	 9 PHE  HN	3.50
	 HA 	10 ARG  HN	3.80
	 HA	11 SER	HN	3.40
         HA	11 SER	HB2	4.50
         HA	11 SER	HB3	4.50
   	 QB 	 9 PHE  HN	3.50
   9 PHE  
         HN     10 ARG  HN      2.80
	 HA	10 ARG  HN	3.50
	 HA	12 MET	HN	3.40
         HA	12 MET	QB	4.50
         HN     11 SER  HN      4.20
  	 HB2	10 ARG  HN	3.50
	 HB3	10 ARG  HN	3.50
  10 ARG
         HN     11 SER  HN      2.80
	 HA	11 SER  HN	3.50
	 HA	13 PHE  HN	4.00
         HA	13 PHE  QB	4.50
         HN	12 MET	HN	4.20
	 HA	12 MET	HN	4.20
  	 QB	11 SER  HN	3.50
  11 SER
	 HN	12 MET	HN	2.80
	 HA	12 MET  HN	3.50
	 HA	13 PHE  HN 	3.80
  	 HN	13 PHE  HN 	4.20
  	 HB2	12 MET  HN	4.50
	 HB3	12 MET  HN	4.50
  12 MET
	 HN	13 PHE  HN	2.80
	 HA	13 PHE  HN	3.50
  	 QB	13 PHE  HN	3.50
  13 PHE
	 HN	14 PRO	HD3	2.80
	 HN	14 PRO	HD2	2.80 
         HA	15 SER  HN	4.20
 	 HA	16 SER  HN	3.40
  	 HN	15 SER  HN	4.20
  14 PRO
	 HD2	13 PHE  HA	4.50
	 HD3	13 PHE  HA	4.50 
         HA	15 SER  HN	3.50
  	 QB	15 SER  HN	4.00
  15 SER
	 HN	16 SER  HN	2.80
	 HA	16 SER  HN	3.50
  16 SER
	 HA	17 GLU  HN	3.50
	 HN	17 GLU	HN	2.80
  17 GLU
	 HA	17 GLU	HN	3.50
	 HA	17 GLU	QG	4.00
	 HA	17 GLU	QB	3.50
         HB2	17 GLU	QG	4.00
         HB2	17 GLU	HB3	4.00
         HB3	17 GLU	QG	4.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          1H        ARG   1  -3.285 -10.851   3.266
    2   2H    ARG   1          2H        ARG   1  -4.304 -12.187   3.338
    3    HA   ARG   1           HA       ARG   1  -3.175 -13.122   1.473
    4   1HB   ARG   1          2HB       ARG   1  -4.859 -10.640   1.408
    5   2HB   ARG   1          1HB       ARG   1  -4.117 -11.124  -0.133
    6   1HG   ARG   1          2HG       ARG   1  -5.861 -12.564  -0.343
    7   2HG   ARG   1          1HG       ARG   1  -5.143 -13.506   0.983
    8   1HD   ARG   1          2HD       ARG   1  -6.546 -12.419   2.598
    9   2HD   ARG   1          1HD       ARG   1  -6.975 -11.121   1.466
   10    HE   ARG   1           HE       ARG   1  -7.769 -13.693   0.431
   11   1HH1  ARG   1          2HH2      ARG   1  -8.685 -11.297   2.875
   12   2HH1  ARG   1          1HH2      ARG   1 -10.354 -11.762   2.884
   13   1HH2  ARG   1          2HH1      ARG   1  -9.930 -14.308   0.433
   14   2HH2  ARG   1          1HH1      ARG   1 -11.094 -13.479   1.501
   15    H    SER   2           H        SER   2  -1.957 -12.504  -0.603
   16    HA   SER   2           HA       SER   2   0.344 -10.991   0.179
   17   1HB   SER   2          2HB       SER   2  -0.330 -12.512  -2.350
   18   2HB   SER   2          1HB       SER   2   1.266 -11.797  -2.015
   19    HG   SER   2           HG       SER   2   1.537 -13.863  -1.308
   20    H    LYS   3           H        LYS   3  -2.643 -10.495  -1.511
   21    HA   LYS   3           HA       LYS   3  -1.677  -8.476  -3.289
   22   1HB   LYS   3          2HB       LYS   3  -3.986  -8.151  -3.837
   23   2HB   LYS   3          1HB       LYS   3  -3.616  -9.890  -3.828
   24   1HG   LYS   3          2HG       LYS   3  -5.083 -10.297  -2.192
   25   2HG   LYS   3          1HG       LYS   3  -4.501  -8.950  -1.190
   26   1HD   LYS   3          2HD       LYS   3  -6.189  -7.622  -1.812
   27   2HD   LYS   3          1HD       LYS   3  -5.984  -7.998  -3.539
   28   1HE   LYS   3          2HE       LYS   3  -8.149  -8.770  -3.011
   29   2HE   LYS   3          1HE       LYS   3  -7.160 -10.244  -3.018
   30   1HZ   LYS   3          1HZ       LYS   3  -8.390  -8.879  -0.745
   31   2HZ   LYS   3          2HZ       LYS   3  -8.200 -10.476  -1.000
   32    H    ASP   4           H        ASP   4  -2.479  -8.686   0.081
   33    HA   ASP   4           HA       ASP   4  -3.324  -6.006   0.343
   34   1HB   ASP   4          2HB       ASP   4  -2.958  -8.353   2.028
   35   2HB   ASP   4          1HB       ASP   4  -2.270  -6.907   2.825
   36    HD2  ASP   4           HD2      ASP   4  -6.192  -7.456   2.570
   37    H    LEU   5           H        LEU   5  -0.279  -7.719   0.063
   38    HA   LEU   5           HA       LEU   5   1.373  -6.025   1.560
   39   1HB   LEU   5          2HB       LEU   5   1.557  -8.259  -0.158
   40   2HB   LEU   5          1HB       LEU   5   2.823  -7.079  -0.623
   41    HG   LEU   5           HG       LEU   5   2.911  -7.257   2.182
   42   1HD1  LEU   5          1HD1      LEU   5   1.558  -9.422   1.709
   43   2HD1  LEU   5          2HD1      LEU   5   3.113 -10.067   1.131
   44   3HD1  LEU   5          3HD1      LEU   5   2.957  -9.487   2.807
   45   1HD2  LEU   5          1HD2      LEU   5   4.733  -6.931   0.408
   46   2HD2  LEU   5          2HD2      LEU   5   5.144  -7.878   1.859
   47   3HD2  LEU   5          3HD2      LEU   5   4.791  -8.709   0.325
   48    H    ARG   6           H        ARG   6  -0.100  -5.770  -1.658
   49    HA   ARG   6           HA       ARG   6   1.637  -3.722  -2.504
   50   1HB   ARG   6          2HB       ARG   6  -0.505  -5.297  -3.617
   51   2HB   ARG   6          1HB       ARG   6  -0.892  -3.585  -3.891
   52   1HG   ARG   6          2HG       ARG   6   1.812  -3.726  -4.524
   53   2HG   ARG   6          1HG       ARG   6   1.208  -5.304  -5.071
   54   1HD   ARG   6          2HD       ARG   6  -0.512  -4.149  -6.431
   55   2HD   ARG   6          1HD       ARG   6   0.032  -2.578  -5.807
   56    HE   ARG   6           HE       ARG   6   2.127  -4.194  -7.085
   57   1HH1  ARG   6          2HH2      ARG   6  -0.408  -1.775  -7.613
   58   2HH1  ARG   6          1HH2      ARG   6   0.294  -1.179  -9.080
   59   1HH2  ARG   6          2HH1      ARG   6   3.048  -3.433  -8.987
   60   2HH2  ARG   6          1HH1      ARG   6   2.269  -2.106  -9.890
   61    H    HIS   7           H        HIS   7  -1.158  -3.921  -0.426
   62    HA   HIS   7           HA       HIS   7  -2.072  -1.264  -0.873
   63   1HB   HIS   7          2HB       HIS   7  -3.280  -3.371   0.008
   64   2HB   HIS   7          1HB       HIS   7  -2.680  -2.843   1.606
   65    HD1  HIS   7           1HD      HIS   7  -5.216  -2.053  -1.033
   66    HD2  HIS   7           2HD      HIS   7  -3.788  -0.375   2.536
   67    HE1  HIS   7           1HE      HIS   7  -6.891  -0.245  -0.373
   68    H    ALA   8           H        ALA   8   0.487  -2.786   0.956
   69    HA   ALA   8           HA       ALA   8   0.690  -0.861   3.009
   70   1HB   ALA   8          1HB       ALA   8   2.883  -2.610   1.835
   71   2HB   ALA   8          2HB       ALA   8   2.789  -1.941   3.482
   72   3HB   ALA   8          3HB       ALA   8   1.649  -3.208   2.969
   73    H    PHE   9           H        PHE   9   1.727  -1.032  -0.382
   74    HA   PHE   9           HA       PHE   9   3.674   1.007  -0.188
   75   1HB   PHE   9          2HB       PHE   9   2.633  -0.866  -2.003
   76   2HB   PHE   9          1HB       PHE   9   2.214   0.699  -2.757
   77    HD1  PHE   9           1HD      PHE   9   5.169  -0.844  -1.054
   78    HD2  PHE   9           2HD      PHE   9   3.723   1.471  -4.303
   79    HE1  PHE   9           1HE      PHE   9   7.503  -0.657  -1.960
   80    HE2  PHE   9           2HE      PHE   9   6.057   1.659  -5.209
   81    HZ   PHE   9           HZ       PHE   9   7.918   0.593  -4.026
   82    H    ARG  10           H        ARG  10   0.172   0.978  -0.294
   83    HA   ARG  10           HA       ARG  10  -0.089   3.517  -1.477
   84   1HB   ARG  10          2HB       ARG  10  -1.829   1.510  -1.116
   85   2HB   ARG  10          1HB       ARG  10  -2.199   2.399   0.378
   86   1HG   ARG  10          2HG       ARG  10  -2.035   3.993  -2.155
   87   2HG   ARG  10          1HG       ARG  10  -3.407   2.872  -2.011
   88   1HD   ARG  10          2HD       ARG  10  -4.216   4.003  -0.066
   89   2HD   ARG  10          1HD       ARG  10  -2.665   4.821   0.206
   90    HE   ARG  10           HE       ARG  10  -3.282   6.422  -1.411
   91   1HH1  ARG  10          2HH2      ARG  10  -5.553   3.703  -1.496
   92   2HH1  ARG  10          1HH2      ARG  10  -6.679   4.515  -2.531
   93   1HH2  ARG  10          2HH1      ARG  10  -4.734   7.487  -2.755
   94   2HH2  ARG  10          1HH1      ARG  10  -6.239   6.678  -3.267
   95    H    SER  11           H        SER  11   0.612   2.297   1.743
   96    HA   SER  11           HA       SER  11  -0.330   4.582   3.116
   97   1HB   SER  11          2HB       SER  11   0.476   2.023   3.778
   98   2HB   SER  11          1HB       SER  11   1.775   3.024   4.471
   99    HG   SER  11           HG       SER  11  -1.066   3.355   4.944
  100    H    MET  12           H        MET  12   2.413   3.871   1.152
  101    HA   MET  12           HA       MET  12   4.150   5.685   2.545
  102   1HB   MET  12          2HB       MET  12   4.351   3.540   0.644
  103   2HB   MET  12          1HB       MET  12   5.104   4.966  -0.100
  104   1HG   MET  12          2HG       MET  12   6.193   5.183   2.333
  105   2HG   MET  12          1HG       MET  12   5.933   3.427   2.354
  106   1HE   MET  12          1HE       MET  12   9.050   5.880   0.767
  107   2HE   MET  12          2HE       MET  12   7.894   6.062  -0.574
  108   3HE   MET  12          3HE       MET  12   7.384   6.413   1.094
  109    H    PHE  13           H        PHE  13   1.631   5.871   0.220
  110    HA   PHE  13           HA       PHE  13   2.641   7.856  -1.477
  111   1HB   PHE  13          2HB       PHE  13   0.309   6.324  -0.960
  112   2HB   PHE  13          1HB       PHE  13  -0.243   8.022  -0.883
  113    HD1  PHE  13           1HD      PHE  13  -0.579   9.256  -2.851
  114    HD2  PHE  13           2HD      PHE  13   1.454   5.537  -3.053
  115    HE1  PHE  13           1HE      PHE  13  -0.686   9.334  -5.358
  116    HE2  PHE  13           2HE      PHE  13   1.347   5.615  -5.559
  117    HZ   PHE  13           HZ       PHE  13   0.279   7.512  -6.682
  118    HA   PRO  14           HA       PRO  14   0.592  10.849   1.571
  119   1HB   PRO  14          2HB       PRO  14  -0.244   9.955   4.005
  120   2HB   PRO  14          1HB       PRO  14  -1.324  10.127   2.623
  121   1HG   PRO  14          2HG       PRO  14  -0.179   7.685   3.808
  122   2HG   PRO  14          1HG       PRO  14  -1.564   7.835   2.719
  123   1HD   PRO  14          2HD       PRO  14   1.117   6.996   2.064
  124   2HD   PRO  14          1HD       PRO  14  -0.263   7.213   0.929
  125    H    SER  15           H        SER  15   2.718   8.411   2.692
  126    HA   SER  15           HA       SER  15   3.874  10.183   4.621
  127   1HB   SER  15          2HB       SER  15   4.013   7.353   3.905
  128   2HB   SER  15          1HB       SER  15   5.614   8.015   4.317
  129    HG   SER  15           HG       SER  15   3.256   7.798   5.942
  130    H    SER  16           H        SER  16   4.266   9.273   1.248
  131    HA   SER  16           HA       SER  16   6.982  10.142   1.137
  132   1HB   SER  16          2HB       SER  16   6.484   8.428  -0.356
  133   2HB   SER  16          1HB       SER  16   4.952   9.163  -0.886
  134    HG   SER  16           HG       SER  16   7.582  10.252  -1.425
  135    H    GLU  17           H        GLU  17   3.780  11.529   0.910
  136    HA   GLU  17           HA       GLU  17   4.629  13.743  -0.681
  137   1HB   GLU  17          2HB       GLU  17   2.245  12.623  -0.492
  138   2HB   GLU  17          1HB       GLU  17   2.059  13.707   0.905
  139   1HG   GLU  17          2HG       GLU  17   1.908  15.557  -0.448
  140   2HG   GLU  17          1HG       GLU  17   3.154  14.963  -1.566
  141    HE2  GLU  17           HE2      GLU  17  -0.375  14.871  -2.909
  Start of MODEL    2
    1   1H    ARG   1          1H        ARG   1  -4.662 -13.227   2.364
    2   2H    ARG   1          2H        ARG   1  -4.667 -14.685   1.526
    3    HA   ARG   1           HA       ARG   1  -3.107 -14.001   0.047
    4   1HB   ARG   1          2HB       ARG   1  -4.264 -12.010  -1.008
    5   2HB   ARG   1          1HB       ARG   1  -5.394 -13.284  -0.497
    6   1HG   ARG   1          2HG       ARG   1  -4.949 -11.444   1.693
    7   2HG   ARG   1          1HG       ARG   1  -5.354 -10.518   0.231
    8   1HD   ARG   1          2HD       ARG   1  -7.013 -12.947   0.719
    9   2HD   ARG   1          1HD       ARG   1  -7.182 -11.667   1.936
   10    HE   ARG   1           HE       ARG   1  -7.292 -10.666  -0.798
   11   1HH1  ARG   1          2HH2      ARG   1  -9.220 -12.192   1.753
   12   2HH1  ARG   1          1HH2      ARG   1 -10.728 -11.600   1.139
   13   1HH2  ARG   1          2HH1      ARG   1  -9.239  -9.892  -1.607
   14   2HH2  ARG   1          1HH1      ARG   1 -10.771 -10.283  -0.779
   15    H    SER   2           H        SER   2  -1.314 -12.680  -0.529
   16    HA   SER   2           HA       SER   2  -0.458 -10.932   1.605
   17   1HB   SER   2          2HB       SER   2   0.798 -12.709  -0.263
   18   2HB   SER   2          1HB       SER   2   1.509 -11.089  -0.466
   19    HG   SER   2           HG       SER   2   2.662 -11.532   1.275
   20    H    LYS   3           H        LYS   3  -2.496 -10.498  -0.835
   21    HA   LYS   3           HA       LYS   3  -1.333  -8.485  -2.415
   22   1HB   LYS   3          2HB       LYS   3  -3.256  -9.823  -3.065
   23   2HB   LYS   3          1HB       LYS   3  -4.252  -9.044  -1.816
   24   1HG   LYS   3          2HG       LYS   3  -3.283  -6.848  -3.027
   25   2HG   LYS   3          1HG       LYS   3  -3.249  -7.949  -4.424
   26   1HD   LYS   3          2HD       LYS   3  -5.581  -8.396  -4.251
   27   2HD   LYS   3          1HD       LYS   3  -5.715  -7.598  -2.667
   28   1HE   LYS   3          2HE       LYS   3  -5.185  -5.438  -3.683
   29   2HE   LYS   3          1HE       LYS   3  -4.997  -6.186  -5.282
   30   1HZ   LYS   3          1HZ       LYS   3  -7.526  -6.729  -3.977
   31   2HZ   LYS   3          2HZ       LYS   3  -7.316  -5.166  -4.382
   32    H    ASP   4           H        ASP   4  -2.541  -8.570   0.862
   33    HA   ASP   4           HA       ASP   4  -3.310  -5.903   1.051
   34   1HB   ASP   4          2HB       ASP   4  -3.168  -8.168   2.736
   35   2HB   ASP   4          1HB       ASP   4  -2.134  -6.935   3.521
   36    HD2  ASP   4           HD2      ASP   4  -5.072  -4.862   3.878
   37    H    LEU   5           H        LEU   5  -0.220  -7.550   0.864
   38    HA   LEU   5           HA       LEU   5   1.370  -5.772   2.328
   39   1HB   LEU   5          2HB       LEU   5   1.686  -8.132   1.152
   40   2HB   LEU   5          1HB       LEU   5   2.541  -7.101  -0.036
   41    HG   LEU   5           HG       LEU   5   3.629  -6.204   2.275
   42   1HD1  LEU   5          1HD1      LEU   5   3.834  -7.740   3.945
   43   2HD1  LEU   5          2HD1      LEU   5   2.219  -8.188   3.343
   44   3HD1  LEU   5          3HD1      LEU   5   3.646  -9.131   2.851
   45   1HD2  LEU   5          1HD2      LEU   5   5.433  -8.091   1.721
   46   2HD2  LEU   5          2HD2      LEU   5   4.431  -8.243   0.257
   47   3HD2  LEU   5          3HD2      LEU   5   5.169  -6.677   0.671
   48    H    ARG   6           H        ARG   6  -0.065  -5.651  -0.916
   49    HA   ARG   6           HA       ARG   6   1.635  -3.586  -1.801
   50   1HB   ARG   6          2HB       ARG   6  -0.028  -5.318  -3.073
   51   2HB   ARG   6          1HB       ARG   6  -1.100  -3.901  -3.007
   52   1HG   ARG   6          2HG       ARG   6   0.159  -2.784  -4.560
   53   2HG   ARG   6          1HG       ARG   6   1.693  -3.330  -3.848
   54   1HD   ARG   6          2HD       ARG   6   1.505  -4.297  -6.065
   55   2HD   ARG   6          1HD       ARG   6   1.209  -5.610  -4.910
   56    HE   ARG   6           HE       ARG   6  -1.209  -4.200  -5.777
   57   1HH1  ARG   6          2HH2      ARG   6   1.037  -6.828  -6.552
   58   2HH1  ARG   6          1HH2      ARG   6  -0.112  -7.693  -7.517
   59   1HH2  ARG   6          2HH1      ARG   6  -2.712  -5.310  -7.027
   60   2HH2  ARG   6          1HH1      ARG   6  -2.262  -6.849  -7.809
   61    H    HIS   7           H        HIS   7  -1.182  -3.791   0.247
   62    HA   HIS   7           HA       HIS   7  -2.155  -1.172  -0.293
   63   1HB   HIS   7          2HB       HIS   7  -3.312  -3.290   0.645
   64   2HB   HIS   7          1HB       HIS   7  -2.761  -2.676   2.230
   65    HD1  HIS   7           1HD      HIS   7  -3.219   0.391   1.595
   66    HD2  HIS   7           2HD      HIS   7  -6.009  -2.674   0.950
   67    HE1  HIS   7           1HE      HIS   7  -5.516   1.505   1.585
   68    H    ALA   8           H        ALA   8   0.414  -2.575   1.614
   69    HA   ALA   8           HA       ALA   8   0.545  -0.588   3.612
   70   1HB   ALA   8          1HB       ALA   8   2.691  -1.586   4.115
   71   2HB   ALA   8          2HB       ALA   8   1.564  -2.893   3.680
   72   3HB   ALA   8          3HB       ALA   8   2.776  -2.334   2.502
   73    H    PHE   9           H        PHE   9   1.636  -0.829   0.241
   74    HA   PHE   9           HA       PHE   9   3.562   1.203   0.350
   75   1HB   PHE   9          2HB       PHE   9   1.933  -0.371  -1.559
   76   2HB   PHE   9          1HB       PHE   9   2.431   1.211  -2.222
   77    HD1  PHE   9           1HD      PHE   9   4.602   1.521  -3.046
   78    HD2  PHE   9           2HD      PHE   9   3.734  -1.934  -0.738
   79    HE1  PHE   9           1HE      PHE   9   6.852   0.569  -3.624
   80    HE2  PHE   9           2HE      PHE   9   5.984  -2.885  -1.316
   81    HZ   PHE   9           HZ       PHE   9   7.515  -1.621  -2.752
   82    H    ARG  10           H        ARG  10   0.044   1.241   0.344
   83    HA   ARG  10           HA       ARG  10  -0.227   3.786  -0.787
   84   1HB   ARG  10          2HB       ARG  10  -2.006   1.970   0.875
   85   2HB   ARG  10          1HB       ARG  10  -2.535   3.623   0.487
   86   1HG   ARG  10          2HG       ARG  10  -2.008   2.991  -1.972
   87   2HG   ARG  10          1HG       ARG  10  -1.906   1.313  -1.392
   88   1HD   ARG  10          2HD       ARG  10  -4.209   1.267  -0.856
   89   2HD   ARG  10          1HD       ARG  10  -4.317   3.034  -0.739
   90    HE   ARG  10           HE       ARG  10  -4.649   1.403  -3.109
   91   1HH1  ARG  10          2HH2      ARG  10  -3.469   4.566  -2.034
   92   2HH1  ARG  10          1HH2      ARG  10  -3.744   5.328  -3.566
   93   1HH2  ARG  10          2HH1      ARG  10  -5.011   2.377  -5.101
   94   2HH2  ARG  10          1HH1      ARG  10  -4.624   4.102  -5.338
   95    H    SER  11           H        SER  11   0.688   2.578   2.376
   96    HA   SER  11           HA       SER  11  -0.135   4.872   3.809
   97   1HB   SER  11          2HB       SER  11   0.039   2.853   5.007
   98   2HB   SER  11          1HB       SER  11   1.693   2.527   4.438
   99    HG   SER  11           HG       SER  11   2.524   3.931   5.890
  100    H    MET  12           H        MET  12   2.445   4.146   1.642
  101    HA   MET  12           HA       MET  12   4.293   5.951   2.894
  102   1HB   MET  12          2HB       MET  12   4.331   3.808   0.979
  103   2HB   MET  12          1HB       MET  12   5.046   5.230   0.188
  104   1HG   MET  12          2HG       MET  12   6.863   5.256   1.554
  105   2HG   MET  12          1HG       MET  12   5.962   4.715   2.985
  106   1HE   MET  12          1HE       MET  12   8.316   2.383  -0.030
  107   2HE   MET  12          2HE       MET  12   6.733   2.817  -0.718
  108   3HE   MET  12          3HE       MET  12   7.803   4.086  -0.075
  109    H    PHE  13           H        PHE  13   1.604   6.149   0.769
  110    HA   PHE  13           HA       PHE  13   2.490   8.127  -1.002
  111   1HB   PHE  13          2HB       PHE  13   0.199   6.607  -0.308
  112   2HB   PHE  13          1HB       PHE  13  -0.339   8.306  -0.190
  113    HD1  PHE  13           1HD      PHE  13  -1.313   9.169  -2.080
  114    HD2  PHE  13           2HD      PHE  13   1.672   6.186  -2.530
  115    HE1  PHE  13           1HE      PHE  13  -1.609   9.247  -4.572
  116    HE2  PHE  13           2HE      PHE  13   1.376   6.265  -5.021
  117    HZ   PHE  13           HZ       PHE  13  -0.262   7.794  -6.012
  118    HA   PRO  14           HA       PRO  14   0.694  11.130   2.191
  119   1HB   PRO  14          2HB       PRO  14   0.042  10.243   4.680
  120   2HB   PRO  14          1HB       PRO  14  -1.140  10.417   3.386
  121   1HG   PRO  14          2HG       PRO  14   0.082   7.971   4.482
  122   2HG   PRO  14          1HG       PRO  14  -1.382   8.127   3.502
  123   1HD   PRO  14          2HD       PRO  14   1.237   7.275   2.645
  124   2HD   PRO  14          1HD       PRO  14  -0.223   7.498   1.618
  125    H    SER  15           H        SER  15   2.888   8.684   3.148
  126    HA   SER  15           HA       SER  15   4.196  10.451   4.982
  127   1HB   SER  15          2HB       SER  15   4.185   8.181   5.601
  128   2HB   SER  15          1HB       SER  15   4.736   7.626   4.004
  129    HG   SER  15           HG       SER  15   6.806   8.464   4.415
  130    H    SER  16           H        SER  16   4.325   9.539   1.590
  131    HA   SER  16           HA       SER  16   7.031  10.360   1.257
  132   1HB   SER  16          2HB       SER  16   6.579  10.033  -1.136
  133   2HB   SER  16          1HB       SER  16   6.087   8.611  -0.184
  134    HG   SER  16           HG       SER  16   3.926  10.147  -0.269
  135    H    GLU  17           H        GLU  17   3.906  11.870   1.435
  136    HA   GLU  17           HA       GLU  17   4.531  14.044  -0.273
  137   1HB   GLU  17          2HB       GLU  17   2.207  13.001   0.853
  138   2HB   GLU  17          1HB       GLU  17   2.428  14.529   1.732
  139   1HG   GLU  17          2HG       GLU  17   1.232  15.254  -0.132
  140   2HG   GLU  17          1HG       GLU  17   2.887  15.436  -0.751
  141    HE2  GLU  17           HE2      GLU  17   0.652  12.340  -2.043
  Start of MODEL    3
    1   1H    ARG   1          1H        ARG   1  -5.724 -13.557   1.736
    2   2H    ARG   1          2H        ARG   1  -4.466 -13.845   0.657
    3    HA   ARG   1           HA       ARG   1  -5.137 -11.778   0.214
    4   1HB   ARG   1          2HB       ARG   1  -5.104 -11.330   3.238
    5   2HB   ARG   1          1HB       ARG   1  -5.280 -10.007   2.065
    6   1HG   ARG   1          2HG       ARG   1  -7.116 -12.257   1.557
    7   2HG   ARG   1          1HG       ARG   1  -7.328 -11.555   3.176
    8   1HD   ARG   1          2HD       ARG   1  -8.479  -9.850   2.216
    9   2HD   ARG   1          1HD       ARG   1  -7.027  -9.397   1.301
   10    HE   ARG   1           HE       ARG   1  -9.343 -10.950   0.359
   11   1HH1  ARG   1          2HH2      ARG   1  -5.974 -10.051  -0.266
   12   2HH1  ARG   1          1HH2      ARG   1  -6.058 -10.423  -1.957
   13   1HH2  ARG   1          2HH1      ARG   1  -9.468 -11.438  -1.831
   14   2HH2  ARG   1          1HH1      ARG   1  -8.041 -11.216  -2.879
   15    H    SER   2           H        SER   2  -2.781 -12.738  -0.351
   16    HA   SER   2           HA       SER   2  -0.686 -11.556   1.166
   17   1HB   SER   2          2HB       SER   2  -0.722 -13.003  -1.491
   18   2HB   SER   2          1HB       SER   2   0.773 -12.537  -0.644
   19    HG   SER   2           HG       SER   2  -0.591 -13.830   1.190
   20    H    LYS   3           H        LYS   3  -2.908 -10.360  -1.063
   21    HA   LYS   3           HA       LYS   3  -1.061  -8.664  -2.498
   22   1HB   LYS   3          2HB       LYS   3  -3.870  -9.468  -2.683
   23   2HB   LYS   3          1HB       LYS   3  -3.572  -7.774  -3.128
   24   1HG   LYS   3          2HG       LYS   3  -2.648  -8.371  -5.066
   25   2HG   LYS   3          1HG       LYS   3  -1.510  -9.482  -4.272
   26   1HD   LYS   3          2HD       LYS   3  -2.733 -10.883  -5.687
   27   2HD   LYS   3          1HD       LYS   3  -3.537 -11.118  -4.119
   28   1HE   LYS   3          2HE       LYS   3  -4.997  -9.060  -5.006
   29   2HE   LYS   3          1HE       LYS   3  -4.530  -9.714  -6.590
   30   1HZ   LYS   3          1HZ       LYS   3  -5.493 -11.818  -5.987
   31   2HZ   LYS   3          2HZ       LYS   3  -5.762 -11.360  -4.448
   32    H    ASP   4           H        ASP   4  -1.877  -8.705   0.619
   33    HA   ASP   4           HA       ASP   4  -2.896  -6.084   0.934
   34   1HB   ASP   4          2HB       ASP   4  -2.281  -8.397   2.593
   35   2HB   ASP   4          1HB       ASP   4  -1.643  -6.907   3.349
   36    HD2  ASP   4           HD2      ASP   4  -4.813  -5.937   4.299
   37    H    LEU   5           H        LEU   5   0.230  -7.604   0.473
   38    HA   LEU   5           HA       LEU   5   1.856  -5.803   1.868
   39   1HB   LEU   5          2HB       LEU   5   2.390  -8.054   1.009
   40   2HB   LEU   5          1HB       LEU   5   2.574  -7.342  -0.625
   41    HG   LEU   5           HG       LEU   5   4.136  -6.044   1.521
   42   1HD1  LEU   5          1HD1      LEU   5   4.165  -8.633   1.922
   43   2HD1  LEU   5          2HD1      LEU   5   5.256  -8.637   0.516
   44   3HD1  LEU   5          3HD1      LEU   5   5.676  -7.695   1.967
   45   1HD2  LEU   5          1HD2      LEU   5   5.673  -5.642  -0.162
   46   2HD2  LEU   5          2HD2      LEU   5   5.185  -7.075  -1.100
   47   3HD2  LEU   5          3HD2      LEU   5   4.128  -5.642  -1.046
   48    H    ARG   6           H        ARG   6   0.183  -5.658  -1.258
   49    HA   ARG   6           HA       ARG   6   1.736  -3.509  -2.208
   50   1HB   ARG   6          2HB       ARG   6  -0.405  -5.206  -3.169
   51   2HB   ARG   6          1HB       ARG   6  -0.849  -3.510  -3.467
   52   1HG   ARG   6          2HG       ARG   6   0.467  -3.686  -5.315
   53   2HG   ARG   6          1HG       ARG   6   1.853  -3.655  -4.203
   54   1HD   ARG   6          2HD       ARG   6   2.355  -5.716  -5.035
   55   2HD   ARG   6          1HD       ARG   6   0.941  -6.323  -4.153
   56    HE   ARG   6           HE       ARG   6  -0.161  -5.361  -6.470
   57   1HH1  ARG   6          2HH2      ARG   6   2.602  -7.501  -5.886
   58   2HH1  ARG   6          1HH2      ARG   6   2.414  -8.356  -7.381
   59   1HH2  ARG   6          2HH1      ARG   6  -0.416  -6.461  -8.413
   60   2HH2  ARG   6          1HH1      ARG   6   0.700  -7.784  -8.845
   61    H    HIS   7           H        HIS   7  -0.913  -3.871   0.033
   62    HA   HIS   7           HA       HIS   7  -2.018  -1.278  -0.364
   63   1HB   HIS   7          2HB       HIS   7  -2.665  -3.647   0.979
   64   2HB   HIS   7          1HB       HIS   7  -2.607  -2.373   2.230
   65    HD1  HIS   7           1HD      HIS   7  -5.199  -3.922   0.840
   66    HD2  HIS   7           2HD      HIS   7  -3.939   0.050   0.357
   67    HE1  HIS   7           1HE      HIS   7  -7.251  -2.607   0.083
   68    H    ALA   8           H        ALA   8   0.735  -2.630   1.312
   69    HA   ALA   8           HA       ALA   8   0.941  -0.685   3.347
   70   1HB   ALA   8          1HB       ALA   8   2.364  -3.003   2.374
   71   2HB   ALA   8          2HB       ALA   8   3.514  -1.673   2.651
   72   3HB   ALA   8          3HB       ALA   8   2.453  -2.222   3.971
   73    H    PHE   9           H        PHE   9   1.784  -0.808  -0.099
   74    HA   PHE   9           HA       PHE   9   3.626   1.318  -0.049
   75   1HB   PHE   9          2HB       PHE   9   2.540  -0.577  -1.788
   76   2HB   PHE   9          1HB       PHE   9   1.929   0.956  -2.472
   77    HD1  PHE   9           1HD      PHE   9   3.714   2.800  -2.860
   78    HD2  PHE   9           2HD      PHE   9   4.644  -1.315  -2.404
   79    HE1  PHE   9           1HE      PHE   9   5.920   3.171  -4.000
   80    HE2  PHE   9           2HE      PHE   9   6.849  -0.945  -3.544
   81    HZ   PHE   9           HZ       PHE   9   7.460   1.294  -4.328
   82    H    ARG  10           H        ARG  10   0.120   1.146   0.102
   83    HA   ARG  10           HA       ARG  10  -0.343   3.683  -0.998
   84   1HB   ARG  10          2HB       ARG  10  -1.941   1.562  -0.393
   85   2HB   ARG  10          1HB       ARG  10  -2.266   2.579   1.028
   86   1HG   ARG  10          2HG       ARG  10  -3.786   3.618  -0.312
   87   2HG   ARG  10          1HG       ARG  10  -2.391   4.363  -1.125
   88   1HD   ARG  10          2HD       ARG  10  -2.371   2.471  -2.743
   89   2HD   ARG  10          1HD       ARG  10  -3.732   1.721  -1.887
   90    HE   ARG  10           HE       ARG  10  -3.804   3.989  -3.735
   91   1HH1  ARG  10          2HH2      ARG  10  -5.503   2.401  -1.062
   92   2HH1  ARG  10          1HH2      ARG  10  -7.043   3.078  -1.475
   93   1HH2  ARG  10          2HH1      ARG  10  -5.796   4.874  -4.283
   94   2HH2  ARG  10          1HH1      ARG  10  -7.242   4.494  -3.310
   95    H    SER  11           H        SER  11   0.724   2.482   2.123
   96    HA   SER  11           HA       SER  11  -0.184   4.710   3.608
   97   1HB   SER  11          2HB       SER  11   0.385   2.337   4.407
   98   2HB   SER  11          1HB       SER  11   2.087   2.860   4.410
   99    HG   SER  11           HG       SER  11   1.542   4.519   5.922
  100    H    MET  12           H        MET  12   2.378   4.148   1.369
  101    HA   MET  12           HA       MET  12   4.157   6.035   2.603
  102   1HB   MET  12          2HB       MET  12   4.261   3.920   0.653
  103   2HB   MET  12          1HB       MET  12   4.884   5.391  -0.128
  104   1HG   MET  12          2HG       MET  12   5.900   5.093   2.591
  105   2HG   MET  12          1HG       MET  12   6.314   3.678   1.604
  106   1HE   MET  12          1HE       MET  12   9.394   4.806  -0.018
  107   2HE   MET  12          2HE       MET  12   8.849   3.995   1.470
  108   3HE   MET  12          3HE       MET  12   8.096   3.590  -0.091
  109    H    PHE  13           H        PHE  13   1.410   6.114   0.545
  110    HA   PHE  13           HA       PHE  13   2.146   8.158  -1.221
  111   1HB   PHE  13          2HB       PHE  13  -0.044   6.510  -0.491
  112   2HB   PHE  13          1HB       PHE  13  -0.668   8.177  -0.338
  113    HD1  PHE  13           1HD      PHE  13  -1.220   9.432  -2.250
  114    HD2  PHE  13           2HD      PHE  13   0.882   5.773  -2.695
  115    HE1  PHE  13           1HE      PHE  13  -1.584   9.525  -4.733
  116    HE2  PHE  13           2HE      PHE  13   0.519   5.865  -5.176
  117    HZ   PHE  13           HZ       PHE  13  -0.709   7.740  -6.166
  118    HA   PRO  14           HA       PRO  14   0.273  11.024   2.053
  119   1HB   PRO  14          2HB       PRO  14  -0.269  10.072   4.548
  120   2HB   PRO  14          1HB       PRO  14  -1.490  10.200   3.284
  121   1HG   PRO  14          2HG       PRO  14  -0.115   7.811   4.319
  122   2HG   PRO  14          1HG       PRO  14  -1.609   7.899   3.375
  123   1HD   PRO  14          2HD       PRO  14   1.031   7.196   2.443
  124   2HD   PRO  14          1HD       PRO  14  -0.465   7.355   1.457
  125    H    SER  15           H        SER  15   2.615   8.687   2.926
  126    HA   SER  15           HA       SER  15   3.874  10.499   4.750
  127   1HB   SER  15          2HB       SER  15   4.301   7.704   3.804
  128   2HB   SER  15          1HB       SER  15   5.704   8.544   4.505
  129    HG   SER  15           HG       SER  15   3.472   7.463   5.763
  130    H    SER  16           H        SER  16   3.967   9.634   1.345
  131    HA   SER  16           HA       SER  16   6.609  10.384   0.846
  132   1HB   SER  16          2HB       SER  16   4.178   9.742  -0.679
  133   2HB   SER  16          1HB       SER  16   5.283  10.842  -1.540
  134    HG   SER  16           HG       SER  16   7.005   9.217  -0.979
  135    H    GLU  17           H        GLU  17   3.710  12.176   1.560
  136    HA   GLU  17           HA       GLU  17   4.453  14.510   0.136
  137   1HB   GLU  17          2HB       GLU  17   2.133  13.550   1.395
  138   2HB   GLU  17          1HB       GLU  17   2.611  14.960   2.369
  139   1HG   GLU  17          2HG       GLU  17   2.240  16.423   0.603
  140   2HG   GLU  17          1HG       GLU  17   2.682  15.217  -0.626
  141    HE2  GLU  17           HE2      GLU  17  -1.069  15.249   0.845
  Start of MODEL    4
    1   1H    ARG   1          1H        ARG   1  -4.200 -12.841   3.803
    2   2H    ARG   1          2H        ARG   1  -3.892 -14.075   2.703
    3    HA   ARG   1           HA       ARG   1  -4.014 -12.809   1.057
    4   1HB   ARG   1          2HB       ARG   1  -4.658 -10.666   3.143
    5   2HB   ARG   1          1HB       ARG   1  -4.917 -10.454   1.397
    6   1HG   ARG   1          2HG       ARG   1  -6.063 -12.918   2.662
    7   2HG   ARG   1          1HG       ARG   1  -6.814 -11.371   3.113
    8   1HD   ARG   1          2HD       ARG   1  -6.275 -12.033   0.203
    9   2HD   ARG   1          1HD       ARG   1  -7.689 -12.728   1.020
   10    HE   ARG   1           HE       ARG   1  -7.388  -9.833   1.371
   11   1HH1  ARG   1          2HH2      ARG   1  -8.716 -12.373  -0.713
   12   2HH1  ARG   1          1HH2      ARG   1  -9.903 -11.335  -1.429
   13   1HH2  ARG   1          2HH1      ARG   1  -8.923  -8.474   0.448
   14   2HH2  ARG   1          1HH1      ARG   1 -10.046  -9.104  -0.787
   15    H    SER   2           H        SER   2  -2.011 -12.620   0.047
   16    HA   SER   2           HA       SER   2   0.011 -11.015   1.257
   17   1HB   SER   2          2HB       SER   2   0.159 -13.223  -0.169
   18   2HB   SER   2          1HB       SER   2   0.229 -12.102  -1.549
   19    HG   SER   2           HG       SER   2   2.100 -11.130  -0.650
   20    H    LYS   3           H        LYS   3  -2.593 -10.607  -1.026
   21    HA   LYS   3           HA       LYS   3  -1.453  -8.569  -2.605
   22   1HB   LYS   3          2HB       LYS   3  -4.058  -9.837  -2.196
   23   2HB   LYS   3          1HB       LYS   3  -4.159  -8.142  -2.716
   24   1HG   LYS   3          2HG       LYS   3  -2.268  -8.925  -4.409
   25   2HG   LYS   3          1HG       LYS   3  -3.008 -10.522  -4.166
   26   1HD   LYS   3          2HD       LYS   3  -4.924  -9.960  -5.242
   27   2HD   LYS   3          1HD       LYS   3  -4.917  -8.279  -4.660
   28   1HE   LYS   3          2HE       LYS   3  -2.658  -8.617  -6.364
   29   2HE   LYS   3          1HE       LYS   3  -4.055  -9.298  -7.227
   30   1HZ   LYS   3          1HZ       LYS   3  -3.663  -6.533  -6.286
   31   2HZ   LYS   3          2HZ       LYS   3  -4.164  -7.043  -7.749
   32    H    ASP   4           H        ASP   4  -2.576  -8.709   0.681
   33    HA   ASP   4           HA       ASP   4  -3.422  -6.052   0.887
   34   1HB   ASP   4          2HB       ASP   4  -3.265  -8.331   2.551
   35   2HB   ASP   4          1HB       ASP   4  -2.247  -7.098   3.352
   36    HD2  ASP   4           HD2      ASP   4  -5.379  -6.453   4.792
   37    H    LEU   5           H        LEU   5  -0.313  -7.665   0.699
   38    HA   LEU   5           HA       LEU   5   1.251  -5.886   2.189
   39   1HB   LEU   5          2HB       LEU   5   1.592  -8.228   0.976
   40   2HB   LEU   5          1HB       LEU   5   2.459  -7.166  -0.178
   41    HG   LEU   5           HG       LEU   5   4.045  -8.071   1.380
   42   1HD1  LEU   5          1HD1      LEU   5   4.209  -5.653   0.675
   43   2HD1  LEU   5          2HD1      LEU   5   3.534  -5.226   2.267
   44   3HD1  LEU   5          3HD1      LEU   5   5.087  -6.088   2.162
   45   1HD2  LEU   5          1HD2      LEU   5   2.057  -7.215   3.470
   46   2HD2  LEU   5          2HD2      LEU   5   2.850  -8.792   3.237
   47   3HD2  LEU   5          3HD2      LEU   5   3.781  -7.411   3.868
   48    H    ARG   6           H        ARG   6  -0.169  -5.744  -1.059
   49    HA   ARG   6           HA       ARG   6   1.512  -3.651  -1.913
   50   1HB   ARG   6          2HB       ARG   6  -0.811  -5.172  -2.956
   51   2HB   ARG   6          1HB       ARG   6  -0.770  -3.481  -3.500
   52   1HG   ARG   6          2HG       ARG   6   0.672  -4.244  -5.090
   53   2HG   ARG   6          1HG       ARG   6   1.875  -4.333  -3.785
   54   1HD   ARG   6          2HD       ARG   6   0.342  -6.699  -3.559
   55   2HD   ARG   6          1HD       ARG   6   0.570  -6.469  -5.304
   56    HE   ARG   6           HE       ARG   6   2.628  -7.027  -3.269
   57   1HH1  ARG   6          2HH2      ARG   6   1.995  -5.932  -6.579
   58   2HH1  ARG   6          1HH2      ARG   6   3.594  -6.293  -7.137
   59   1HH2  ARG   6          2HH1      ARG   6   4.706  -7.501  -3.979
   60   2HH2  ARG   6          1HH1      ARG   6   5.165  -7.190  -5.675
   61    H    HIS   7           H        HIS   7  -1.313  -3.909   0.118
   62    HA   HIS   7           HA       HIS   7  -2.312  -1.294  -0.398
   63   1HB   HIS   7          2HB       HIS   7  -3.013  -3.625   1.123
   64   2HB   HIS   7          1HB       HIS   7  -3.253  -2.149   2.099
   65    HD1  HIS   7           1HD      HIS   7  -5.870  -3.119   1.753
   66    HD2  HIS   7           2HD      HIS   7  -3.982  -1.268  -1.504
   67    HE1  HIS   7           1HE      HIS   7  -7.728  -2.439   0.143
   68    H    ALA   8           H        ALA   8   0.265  -2.692   1.506
   69    HA   ALA   8           HA       ALA   8   0.363  -0.726   3.527
   70   1HB   ALA   8          1HB       ALA   8   2.357  -2.706   2.376
   71   2HB   ALA   8          2HB       ALA   8   2.748  -1.630   3.740
   72   3HB   ALA   8          3HB       ALA   8   1.439  -2.826   3.896
   73    H    PHE   9           H        PHE   9   1.473  -0.916   0.159
   74    HA   PHE   9           HA       PHE   9   3.376   1.134   0.300
   75   1HB   PHE   9          2HB       PHE   9   1.771  -0.433  -1.636
   76   2HB   PHE   9          1HB       PHE   9   2.256   1.162  -2.275
   77    HD1  PHE   9           1HD      PHE   9   4.739   1.733  -2.225
   78    HD2  PHE   9           2HD      PHE   9   3.275  -2.213  -1.688
   79    HE1  PHE   9           1HE      PHE   9   7.002   0.814  -2.806
   80    HE2  PHE   9           2HE      PHE   9   5.537  -3.133  -2.270
   81    HZ   PHE   9           HZ       PHE   9   7.373  -1.607  -2.821
   82    H    ARG  10           H        ARG  10  -0.141   1.137   0.282
   83    HA   ARG  10           HA       ARG  10  -0.434   3.692  -0.820
   84   1HB   ARG  10          2HB       ARG  10  -2.233   1.879  -0.608
   85   2HB   ARG  10          1HB       ARG  10  -2.345   2.298   1.115
   86   1HG   ARG  10          2HG       ARG  10  -3.277   4.408   0.632
   87   2HG   ARG  10          1HG       ARG  10  -2.586   4.448  -1.005
   88   1HD   ARG  10          2HD       ARG  10  -4.564   2.275  -0.363
   89   2HD   ARG  10          1HD       ARG  10  -5.191   3.930  -0.514
   90    HE   ARG  10           HE       ARG  10  -4.051   2.228  -2.632
   91   1HH1  ARG  10          2HH2      ARG  10  -4.981   5.516  -1.695
   92   2HH1  ARG  10          1HH2      ARG  10  -5.105   6.080  -3.328
   93   1HH2  ARG  10          2HH1      ARG  10  -4.207   2.945  -4.756
   94   2HH2  ARG  10          1HH1      ARG  10  -4.669   4.634  -5.099
   95    H    SER  11           H        SER  11   0.481   2.456   2.333
   96    HA   SER  11           HA       SER  11  -0.367   4.727   3.788
   97   1HB   SER  11          2HB       SER  11  -0.172   2.674   4.946
   98   2HB   SER  11          1HB       SER  11   1.505   2.411   4.409
   99    HG   SER  11           HG       SER  11   2.094   4.325   5.675
  100    H    MET  12           H        MET  12   2.225   4.050   1.620
  101    HA   MET  12           HA       MET  12   4.053   5.857   2.900
  102   1HB   MET  12          2HB       MET  12   4.062   3.804   0.822
  103   2HB   MET  12          1HB       MET  12   4.940   5.245   0.262
  104   1HG   MET  12          2HG       MET  12   5.444   3.694   2.829
  105   2HG   MET  12          1HG       MET  12   6.497   3.693   1.401
  106   1HE   MET  12          1HE       MET  12   6.219   4.441   4.549
  107   2HE   MET  12          2HE       MET  12   7.429   5.712   4.849
  108   3HE   MET  12          3HE       MET  12   5.701   6.130   4.761
  109    H    PHE  13           H        PHE  13   1.370   6.054   0.769
  110    HA   PHE  13           HA       PHE  13   2.243   8.064  -0.974
  111   1HB   PHE  13          2HB       PHE  13  -0.035   6.515  -0.306
  112   2HB   PHE  13          1HB       PHE  13  -0.591   8.207  -0.170
  113    HD1  PHE  13           1HD      PHE  13  -0.579   9.661  -2.142
  114    HD2  PHE  13           2HD      PHE  13   0.461   5.558  -2.438
  115    HE1  PHE  13           1HE      PHE  13  -0.868   9.767  -4.634
  116    HE2  PHE  13           2HE      PHE  13   0.171   5.663  -4.929
  117    HZ   PHE  13           HZ       PHE  13  -0.489   7.767  -5.998
  118    HA   PRO  14           HA       PRO  14   0.405  11.010   2.250
  119   1HB   PRO  14          2HB       PRO  14  -0.247  10.082   4.728
  120   2HB   PRO  14          1HB       PRO  14  -1.426  10.263   3.430
  121   1HG   PRO  14          2HG       PRO  14  -0.185   7.816   4.500
  122   2HG   PRO  14          1HG       PRO  14  -1.645   7.969   3.516
  123   1HD   PRO  14          2HD       PRO  14   0.986   7.153   2.655
  124   2HD   PRO  14          1HD       PRO  14  -0.475   7.377   1.628
  125    H    SER  15           H        SER  15   2.619   8.572   3.184
  126    HA   SER  15           HA       SER  15   3.904  10.327   5.046
  127   1HB   SER  15          2HB       SER  15   3.965   8.089   5.684
  128   2HB   SER  15          1HB       SER  15   4.404   7.506   4.061
  129    HG   SER  15           HG       SER  15   6.498   7.941   4.422
  130    H    SER  16           H        SER  16   4.054   9.461   1.643
  131    HA   SER  16           HA       SER  16   6.751  10.201   1.278
  132   1HB   SER  16          2HB       SER  16   4.403   9.611  -0.484
  133   2HB   SER  16          1HB       SER  16   5.851  10.339  -1.218
  134    HG   SER  16           HG       SER  16   5.691   7.840   0.236
  135    H    GLU  17           H        GLU  17   3.931  11.964   1.980
  136    HA   GLU  17           HA       GLU  17   4.431  14.182   0.292
  137   1HB   GLU  17          2HB       GLU  17   2.198  13.400   1.431
  138   2HB   GLU  17          1HB       GLU  17   2.788  14.325   2.830
  139   1HG   GLU  17          2HG       GLU  17   2.024  16.208   1.826
  140   2HG   GLU  17          1HG       GLU  17   3.143  15.932   0.474
  141    HE2  GLU  17           HE2      GLU  17  -0.741  15.274   0.046
  Start of MODEL    5
    1   1H    ARG   1          1H        ARG   1  -4.428 -14.223   0.479
    2   2H    ARG   1          2H        ARG   1  -3.395 -14.489  -0.820
    3    HA   ARG   1           HA       ARG   1  -4.275 -12.700  -1.561
    4   1HB   ARG   1          2HB       ARG   1  -5.156 -10.835  -0.068
    5   2HB   ARG   1          1HB       ARG   1  -5.927 -12.410   0.220
    6   1HG   ARG   1          2HG       ARG   1  -3.540 -12.096   1.868
    7   2HG   ARG   1          1HG       ARG   1  -4.637 -10.716   2.094
    8   1HD   ARG   1          2HD       ARG   1  -6.461 -12.243   2.681
    9   2HD   ARG   1          1HD       ARG   1  -5.472 -13.652   2.249
   10    HE   ARG   1           HE       ARG   1  -5.379 -12.095   4.716
   11   1HH1  ARG   1          2HH2      ARG   1  -3.476 -14.188   2.582
   12   2HH1  ARG   1          1HH2      ARG   1  -2.383 -14.679   3.833
   13   1HH2  ARG   1          2HH1      ARG   1  -3.969 -12.724   6.350
   14   2HH2  ARG   1          1HH1      ARG   1  -2.639 -13.859   5.995
   15    H    SER   2           H        SER   2  -1.954 -12.602  -2.240
   16    HA   SER   2           HA       SER   2  -0.277 -10.910  -0.639
   17   1HB   SER   2          2HB       SER   2   0.065 -12.952  -2.604
   18   2HB   SER   2          1HB       SER   2   0.914 -11.498  -3.186
   19    HG   SER   2           HG       SER   2   2.117 -13.074  -1.714
   20    H    LYS   3           H        LYS   3  -2.840 -10.183  -2.429
   21    HA   LYS   3           HA       LYS   3  -1.676  -8.285  -4.256
   22   1HB   LYS   3          2HB       LYS   3  -3.927  -7.830  -4.905
   23   2HB   LYS   3          1HB       LYS   3  -3.688  -9.590  -4.842
   24   1HG   LYS   3          2HG       LYS   3  -4.557  -9.306  -2.372
   25   2HG   LYS   3          1HG       LYS   3  -5.291  -7.811  -2.994
   26   1HD   LYS   3          2HD       LYS   3  -6.144  -9.351  -4.926
   27   2HD   LYS   3          1HD       LYS   3  -5.854 -10.683  -3.785
   28   1HE   LYS   3          2HE       LYS   3  -7.264  -8.401  -2.588
   29   2HE   LYS   3          1HE       LYS   3  -8.179  -9.142  -3.918
   30   1HZ   LYS   3          1HZ       LYS   3  -8.390 -11.094  -2.752
   31   2HZ   LYS   3          2HZ       LYS   3  -6.984 -10.940  -1.944
   32    H    ASP   4           H        ASP   4  -2.712  -8.425  -0.924
   33    HA   ASP   4           HA       ASP   4  -3.439  -5.752  -0.645
   34   1HB   ASP   4          2HB       ASP   4  -3.253  -8.054   0.986
   35   2HB   ASP   4          1HB       ASP   4  -2.166  -6.851   1.746
   36    HD2  ASP   4           HD2      ASP   4  -5.434  -6.452   3.204
   37    H    LEU   5           H        LEU   5  -0.387  -7.437  -1.015
   38    HA   LEU   5           HA       LEU   5   1.296  -5.712   0.410
   39   1HB   LEU   5          2HB       LEU   5   1.467  -7.882  -1.481
   40   2HB   LEU   5          1HB       LEU   5   2.810  -6.710  -1.663
   41    HG   LEU   5           HG       LEU   5   2.083  -7.936   0.997
   42   1HD1  LEU   5          1HD1      LEU   5   3.482  -9.761   0.690
   43   2HD1  LEU   5          2HD1      LEU   5   2.634  -9.647  -0.870
   44   3HD1  LEU   5          3HD1      LEU   5   4.298  -9.035  -0.716
   45   1HD2  LEU   5          1HD2      LEU   5   4.699  -6.782  -0.001
   46   2HD2  LEU   5          2HD2      LEU   5   3.483  -5.876   0.931
   47   3HD2  LEU   5          3HD2      LEU   5   4.296  -7.283   1.659
   48    H    ARG   6           H        ARG   6  -0.286  -5.504  -2.759
   49    HA   ARG   6           HA       ARG   6   1.402  -3.448  -3.683
   50   1HB   ARG   6          2HB       ARG   6  -0.911  -4.976  -4.646
   51   2HB   ARG   6          1HB       ARG   6  -1.052  -3.256  -5.079
   52   1HG   ARG   6          2HG       ARG   6   0.289  -3.828  -6.838
   53   2HG   ARG   6          1HG       ARG   6   1.610  -3.839  -5.650
   54   1HD   ARG   6          2HD       ARG   6   0.667  -6.345  -5.268
   55   2HD   ARG   6          1HD       ARG   6   0.120  -6.111  -6.940
   56    HE   ARG   6           HE       ARG   6   2.896  -5.326  -6.520
   57   1HH1  ARG   6          2HH2      ARG   6   0.781  -8.105  -7.116
   58   2HH1  ARG   6          1HH2      ARG   6   2.037  -9.066  -7.823
   59   1HH2  ARG   6          2HH1      ARG   6   4.534  -6.559  -7.435
   60   2HH2  ARG   6          1HH1      ARG   6   4.192  -8.210  -8.019
   61    H    HIS   7           H        HIS   7  -1.321  -3.653  -1.510
   62    HA   HIS   7           HA       HIS   7  -2.275  -1.009  -1.953
   63   1HB   HIS   7          2HB       HIS   7  -3.423  -3.128  -1.004
   64   2HB   HIS   7          1HB       HIS   7  -2.788  -2.556   0.566
   65    HD1  HIS   7           1HD      HIS   7  -5.783  -2.408  -1.311
   66    HD2  HIS   7           2HD      HIS   7  -3.536   0.458   0.769
   67    HE1  HIS   7           1HE      HIS   7  -7.368  -0.467  -0.834
   68    H    ALA   8           H        ALA   8   0.358  -2.489  -0.196
   69    HA   ALA   8           HA       ALA   8   0.611  -0.541   1.830
   70   1HB   ALA   8          1HB       ALA   8   1.599  -2.797   1.952
   71   2HB   ALA   8          2HB       ALA   8   2.652  -2.419   0.568
   72   3HB   ALA   8          3HB       ALA   8   2.856  -1.545   2.106
   73    H    PHE   9           H        PHE   9   1.536  -0.738  -1.590
   74    HA   PHE   9           HA       PHE   9   3.469   1.321  -1.483
   75   1HB   PHE   9          2HB       PHE   9   2.382  -0.578  -3.243
   76   2HB   PHE   9          1HB       PHE   9   1.927   0.975  -3.998
   77    HD1  PHE   9           1HD      PHE   9   4.074   2.718  -3.778
   78    HD2  PHE   9           2HD      PHE   9   4.254  -1.500  -4.204
   79    HE1  PHE   9           1HE      PHE   9   6.374   2.915  -4.763
   80    HE2  PHE   9           2HE      PHE   9   6.554  -1.303  -5.188
   81    HZ   PHE   9           HZ       PHE   9   7.587   0.902  -5.456
   82    H    ARG  10           H        ARG  10  -0.034   1.260  -1.471
   83    HA   ARG  10           HA       ARG  10  -0.359   3.784  -2.668
   84   1HB   ARG  10          2HB       ARG  10  -2.160   2.032  -2.568
   85   2HB   ARG  10          1HB       ARG  10  -2.251   2.257  -0.808
   86   1HG   ARG  10          2HG       ARG  10  -3.243   4.376  -1.041
   87   2HG   ARG  10          1HG       ARG  10  -2.559   4.629  -2.662
   88   1HD   ARG  10          2HD       ARG  10  -4.236   2.319  -2.807
   89   2HD   ARG  10          1HD       ARG  10  -5.134   3.540  -1.882
   90    HE   ARG  10           HE       ARG  10  -3.835   4.475  -4.364
   91   1HH1  ARG  10          2HH2      ARG  10  -6.805   3.250  -2.868
   92   2HH1  ARG  10          1HH2      ARG  10  -7.834   3.858  -4.122
   93   1HH2  ARG  10          2HH1      ARG  10  -5.159   5.268  -5.998
   94   2HH2  ARG  10          1HH1      ARG  10  -6.923   5.013  -5.923
   95    H    SER  11           H        SER  11   0.462   2.602   0.538
   96    HA   SER  11           HA       SER  11  -0.454   4.892   1.920
   97   1HB   SER  11          2HB       SER  11  -0.307   2.898   3.151
   98   2HB   SER  11          1HB       SER  11   1.366   2.569   2.636
   99    HG   SER  11           HG       SER  11   0.933   5.003   4.016
  100    H    MET  12           H        MET  12   2.228   4.188  -0.129
  101    HA   MET  12           HA       MET  12   3.992   6.031   1.186
  102   1HB   MET  12          2HB       MET  12   4.158   3.861  -0.678
  103   2HB   MET  12          1HB       MET  12   4.849   5.283  -1.492
  104   1HG   MET  12          2HG       MET  12   6.748   4.841  -0.383
  105   2HG   MET  12          1HG       MET  12   5.936   5.420   1.086
  106   1HE   MET  12          1HE       MET  12   4.967   3.990   2.909
  107   2HE   MET  12          2HE       MET  12   5.864   2.504   3.300
  108   3HE   MET  12          3HE       MET  12   6.744   4.025   3.013
  109    H    PHE  13           H        PHE  13   1.395   6.170  -1.053
  110    HA   PHE  13           HA       PHE  13   2.328   8.146  -2.804
  111   1HB   PHE  13          2HB       PHE  13   0.031   6.600  -2.193
  112   2HB   PHE  13          1HB       PHE  13  -0.535   8.293  -2.113
  113    HD1  PHE  13           1HD      PHE  13  -1.601   8.936  -4.042
  114    HD2  PHE  13           2HD      PHE  13   1.763   6.370  -4.354
  115    HE1  PHE  13           1HE      PHE  13  -1.794   8.988  -6.544
  116    HE2  PHE  13           2HE      PHE  13   1.570   6.422  -6.857
  117    HZ   PHE  13           HZ       PHE  13  -0.206   7.731  -7.922
  118    HA   PRO  14           HA       PRO  14   0.357  11.152   0.282
  119   1HB   PRO  14          2HB       PRO  14  -0.388  10.275   2.752
  120   2HB   PRO  14          1HB       PRO  14  -1.516  10.423   1.406
  121   1HG   PRO  14          2HG       PRO  14  -0.310   8.006   2.576
  122   2HG   PRO  14          1HG       PRO  14  -1.731   8.131   1.533
  123   1HD   PRO  14          2HD       PRO  14   0.934   7.308   0.794
  124   2HD   PRO  14          1HD       PRO  14  -0.485   7.502  -0.294
  125    H    SER  15           H        SER  15   2.541   8.746   1.353
  126    HA   SER  15           HA       SER  15   3.746  10.547   3.225
  127   1HB   SER  15          2HB       SER  15   4.011   7.711   2.432
  128   2HB   SER  15          1HB       SER  15   5.512   8.464   3.021
  129    HG   SER  15           HG       SER  15   4.737   8.089   4.978
  130    H    SER  16           H        SER  16   4.032   9.607  -0.150
  131    HA   SER  16           HA       SER  16   6.739  10.385  -0.410
  132   1HB   SER  16          2HB       SER  16   5.858   8.770  -1.920
  133   2HB   SER  16          1HB       SER  16   4.523   9.833  -2.424
  134    HG   SER  16           HG       SER  16   6.613   9.597  -3.818
  135    H    GLU  17           H        GLU  17   3.642  12.003  -0.309
  136    HA   GLU  17           HA       GLU  17   4.462  14.236  -1.857
  137   1HB   GLU  17          2HB       GLU  17   2.052  13.471  -0.233
  138   2HB   GLU  17          1HB       GLU  17   2.303  15.195  -0.586
  139   1HG   GLU  17          2HG       GLU  17   2.776  13.718  -3.000
  140   2HG   GLU  17          1HG       GLU  17   1.274  13.097  -2.283
  141    HE2  GLU  17           HE2      GLU  17   0.586  16.058  -4.358
  Start of MODEL    6
    1   1H    ARG   1          1H        ARG   1  -3.241 -14.924   0.705
    2   2H    ARG   1          2H        ARG   1  -1.996 -14.312  -0.245
    3    HA   ARG   1           HA       ARG   1  -3.719 -12.885  -0.427
    4   1HB   ARG   1          2HB       ARG   1  -3.789 -12.927   2.628
    5   2HB   ARG   1          1HB       ARG   1  -4.696 -11.755   1.647
    6   1HG   ARG   1          2HG       ARG   1  -6.194 -13.378   0.923
    7   2HG   ARG   1          1HG       ARG   1  -4.983 -14.678   0.998
    8   1HD   ARG   1          2HD       ARG   1  -6.072 -15.281   2.915
    9   2HD   ARG   1          1HD       ARG   1  -5.264 -13.888   3.663
   10    HE   ARG   1           HE       ARG   1  -7.336 -12.798   3.691
   11   1HH1  ARG   1          2HH2      ARG   1  -7.512 -15.513   1.422
   12   2HH1  ARG   1          1HH2      ARG   1  -9.216 -15.343   1.158
   13   1HH2  ARG   1          2HH1      ARG   1  -9.547 -12.565   3.358
   14   2HH2  ARG   1          1HH1      ARG   1 -10.406 -13.669   2.252
   15    H    SER   2           H        SER   2  -1.150 -12.470  -0.944
   16    HA   SER   2           HA       SER   2  -0.072 -10.462   0.791
   17   1HB   SER   2          2HB       SER   2   0.888 -12.282  -1.213
   18   2HB   SER   2          1HB       SER   2   1.446 -10.641  -1.620
   19    HG   SER   2           HG       SER   2   2.967 -10.999  -0.157
   20    H    LYS   3           H        LYS   3  -2.585 -10.318  -1.208
   21    HA   LYS   3           HA       LYS   3  -1.849  -8.273  -3.033
   22   1HB   LYS   3          2HB       LYS   3  -4.197  -8.148  -3.510
   23   2HB   LYS   3          1HB       LYS   3  -3.683  -9.848  -3.456
   24   1HG   LYS   3          2HG       LYS   3  -4.404  -9.681  -0.936
   25   2HG   LYS   3          1HG       LYS   3  -5.387  -8.306  -1.486
   26   1HD   LYS   3          2HD       LYS   3  -6.049 -10.058  -3.394
   27   2HD   LYS   3          1HD       LYS   3  -5.663 -11.235  -2.118
   28   1HE   LYS   3          2HE       LYS   3  -7.228  -9.062  -1.032
   29   2HE   LYS   3          1HE       LYS   3  -8.078  -9.747  -2.430
   30   1HZ   LYS   3          1HZ       LYS   3  -7.253 -11.139   0.043
   31   2HZ   LYS   3          2HZ       LYS   3  -8.735 -11.081  -0.626
   32    H    ASP   4           H        ASP   4  -2.588  -8.393   0.368
   33    HA   ASP   4           HA       ASP   4  -3.544  -5.722   0.485
   34   1HB   ASP   4          2HB       ASP   4  -3.478  -7.973   2.195
   35   2HB   ASP   4          1HB       ASP   4  -2.459  -6.741   3.001
   36    HD2  ASP   4           HD2      ASP   4  -5.244  -4.856   3.848
   37    H    LEU   5           H        LEU   5  -0.467  -7.401   0.410
   38    HA   LEU   5           HA       LEU   5   1.094  -5.626   1.908
   39   1HB   LEU   5          2HB       LEU   5   1.386  -7.988   0.585
   40   2HB   LEU   5          1HB       LEU   5   2.457  -6.885  -0.336
   41    HG   LEU   5           HG       LEU   5   3.510  -6.265   1.876
   42   1HD1  LEU   5          1HD1      LEU   5   1.988  -8.698   2.851
   43   2HD1  LEU   5          2HD1      LEU   5   3.265  -7.838   3.745
   44   3HD1  LEU   5          3HD1      LEU   5   1.734  -7.013   3.364
   45   1HD2  LEU   5          1HD2      LEU   5   4.973  -7.554   0.737
   46   2HD2  LEU   5          2HD2      LEU   5   4.586  -8.728   2.018
   47   3HD2  LEU   5          3HD2      LEU   5   3.782  -8.842   0.435
   48    H    ARG   6           H        ARG   6  -0.236  -5.521  -1.380
   49    HA   ARG   6           HA       ARG   6   1.511  -3.482  -2.230
   50   1HB   ARG   6          2HB       ARG   6  -0.390  -5.186  -3.429
   51   2HB   ARG   6          1HB       ARG   6  -1.066  -3.557  -3.643
   52   1HG   ARG   6          2HG       ARG   6   1.553  -3.126  -4.320
   53   2HG   ARG   6          1HG       ARG   6   1.374  -4.826  -4.805
   54   1HD   ARG   6          2HD       ARG   6  -0.954  -3.599  -5.767
   55   2HD   ARG   6          1HD       ARG   6   0.294  -2.363  -6.015
   56    HE   ARG   6           HE       ARG   6  -0.032  -4.825  -7.475
   57   1HH1  ARG   6          2HH2      ARG   6   2.491  -2.692  -6.198
   58   2HH1  ARG   6          1HH2      ARG   6   3.665  -3.168  -7.379
   59   1HH2  ARG   6          2HH1      ARG   6   1.479  -5.455  -9.014
   60   2HH2  ARG   6          1HH1      ARG   6   3.116  -4.744  -9.002
   61    H    HIS   7           H        HIS   7  -1.372  -3.640  -0.271
   62    HA   HIS   7           HA       HIS   7  -2.299  -1.015  -0.866
   63   1HB   HIS   7          2HB       HIS   7  -3.108  -3.304   0.653
   64   2HB   HIS   7          1HB       HIS   7  -3.306  -1.825   1.634
   65    HD1  HIS   7           1HD      HIS   7  -5.186  -0.209   0.986
   66    HD2  HIS   7           2HD      HIS   7  -4.716  -3.384  -1.715
   67    HE1  HIS   7           1HE      HIS   7  -7.202  -0.124  -0.576
   68    H    ALA   8           H        ALA   8   0.195  -2.426   1.135
   69    HA   ALA   8           HA       ALA   8   0.282  -0.422   3.118
   70   1HB   ALA   8          1HB       ALA   8   2.642  -2.059   2.161
   71   2HB   ALA   8          2HB       ALA   8   2.259  -1.507   3.809
   72   3HB   ALA   8          3HB       ALA   8   1.302  -2.809   3.061
   73    H    PHE   9           H        PHE   9   1.476  -0.705  -0.214
   74    HA   PHE   9           HA       PHE   9   3.419   1.308  -0.062
   75   1HB   PHE   9          2HB       PHE   9   1.832  -0.266  -2.010
   76   2HB   PHE   9          1HB       PHE   9   2.369   1.306  -2.668
   77    HD1  PHE   9           1HD      PHE   9   3.977  -1.273  -0.489
   78    HD2  PHE   9           2HD      PHE   9   4.183   1.018  -4.055
   79    HE1  PHE   9           1HE      PHE   9   6.233  -2.253  -0.988
   80    HE2  PHE   9           2HE      PHE   9   6.439   0.038  -4.554
   81    HZ   PHE   9           HZ       PHE   9   7.437  -1.586  -3.015
   82    H    ARG  10           H        ARG  10  -0.096   1.383  -0.178
   83    HA   ARG  10           HA       ARG  10  -0.306   3.921  -1.338
   84   1HB   ARG  10          2HB       ARG  10  -2.157   2.142   0.287
   85   2HB   ARG  10          1HB       ARG  10  -2.655   3.794  -0.143
   86   1HG   ARG  10          2HG       ARG  10  -1.527   2.268  -2.408
   87   2HG   ARG  10          1HG       ARG  10  -2.963   1.499  -1.697
   88   1HD   ARG  10          2HD       ARG  10  -4.330   3.344  -2.241
   89   2HD   ARG  10          1HD       ARG  10  -2.959   4.469  -2.302
   90    HE   ARG  10           HE       ARG  10  -2.784   2.382  -4.321
   91   1HH1  ARG  10          2HH2      ARG  10  -4.338   5.480  -3.583
   92   2HH1  ARG  10          1HH2      ARG  10  -4.585   5.893  -5.247
   93   1HH2  ARG  10          2HH1      ARG  10  -3.098   2.905  -6.484
   94   2HH2  ARG  10          1HH1      ARG  10  -3.889   4.441  -6.928
   95    H    SER  11           H        SER  11   0.498   2.730   1.862
   96    HA   SER  11           HA       SER  11  -0.344   5.046   3.248
   97   1HB   SER  11          2HB       SER  11   0.567   2.466   3.870
   98   2HB   SER  11          1HB       SER  11   1.768   3.558   4.602
   99    HG   SER  11           HG       SER  11  -0.240   4.734   5.450
  100    H    MET  12           H        MET  12   2.294   4.274   1.168
  101    HA   MET  12           HA       MET  12   4.122   6.070   2.462
  102   1HB   MET  12          2HB       MET  12   4.163   3.948   0.475
  103   2HB   MET  12          1HB       MET  12   5.028   5.363  -0.166
  104   1HG   MET  12          2HG       MET  12   5.779   5.011   2.575
  105   2HG   MET  12          1HG       MET  12   5.955   3.439   1.773
  106   1HE   MET  12          1HE       MET  12   8.247   3.823   2.663
  107   2HE   MET  12          2HE       MET  12   9.555   4.471   1.644
  108   3HE   MET  12          3HE       MET  12   8.696   5.542   2.775
  109    H    PHE  13           H        PHE  13   1.502   6.277   0.253
  110    HA   PHE  13           HA       PHE  13   2.464   8.231  -1.506
  111   1HB   PHE  13          2HB       PHE  13   0.134   6.740  -0.872
  112   2HB   PHE  13          1HB       PHE  13  -0.386   8.447  -0.784
  113    HD1  PHE  13           1HD      PHE  13  -0.012   9.906  -2.808
  114    HD2  PHE  13           2HD      PHE  13   0.392   5.684  -2.944
  115    HE1  PHE  13           1HE      PHE  13  -0.231   9.966  -5.307
  116    HE2  PHE  13           2HE      PHE  13   0.173   5.745  -5.445
  117    HZ   PHE  13           HZ       PHE  13  -0.136   7.885  -6.596
  118    HA   PRO  14           HA       PRO  14   0.602  11.281   1.604
  119   1HB   PRO  14          2HB       PRO  14  -0.138  10.418   4.082
  120   2HB   PRO  14          1HB       PRO  14  -1.276  10.596   2.748
  121   1HG   PRO  14          2HG       PRO  14  -0.117   8.148   3.903
  122   2HG   PRO  14          1HG       PRO  14  -1.546   8.310   2.876
  123   1HD   PRO  14          2HD       PRO  14   1.091   7.425   2.108
  124   2HD   PRO  14          1HD       PRO  14  -0.336   7.652   1.034
  125    H    SER  15           H        SER  15   2.738   8.820   2.650
  126    HA   SER  15           HA       SER  15   4.008  10.589   4.508
  127   1HB   SER  15          2HB       SER  15   4.754   7.832   3.496
  128   2HB   SER  15          1HB       SER  15   5.588   8.669   4.829
  129    HG   SER  15           HG       SER  15   4.128   7.475   5.940
  130    H    SER  16           H        SER  16   4.233   9.645   1.130
  131    HA   SER  16           HA       SER  16   6.956  10.398   0.858
  132   1HB   SER  16          2HB       SER  16   5.978   8.720  -0.582
  133   2HB   SER  16          1HB       SER  16   4.773   9.873  -1.206
  134    HG   SER  16           HG       SER  16   6.306  10.899  -2.406
  135    H    GLU  17           H        GLU  17   3.900  12.030   1.028
  136    HA   GLU  17           HA       GLU  17   4.794  14.252  -0.558
  137   1HB   GLU  17          2HB       GLU  17   2.260  13.208   0.334
  138   2HB   GLU  17          1HB       GLU  17   2.404  14.895   0.881
  139   1HG   GLU  17          2HG       GLU  17   1.684  15.382  -1.234
  140   2HG   GLU  17          1HG       GLU  17   3.352  15.013  -1.724
  141    HE2  GLU  17           HE2      GLU  17   0.459  12.830  -3.117
  Start of MODEL    7
    1   1H    ARG   1          1H        ARG   1  -5.633 -11.625   0.888
    2   2H    ARG   1          2H        ARG   1  -6.386 -12.976   0.228
    3    HA   ARG   1           HA       ARG   1  -4.132 -14.029   0.514
    4   1HB   ARG   1          2HB       ARG   1  -5.557 -13.153  -1.636
    5   2HB   ARG   1          1HB       ARG   1  -4.127 -12.109  -1.795
    6   1HG   ARG   1          2HG       ARG   1  -3.103 -14.677  -1.242
    7   2HG   ARG   1          1HG       ARG   1  -4.465 -14.968  -2.347
    8   1HD   ARG   1          2HD       ARG   1  -3.129 -12.748  -3.443
    9   2HD   ARG   1          1HD       ARG   1  -1.818 -13.788  -2.852
   10    HE   ARG   1           HE       ARG   1  -3.897 -15.210  -4.347
   11   1HH1  ARG   1          2HH2      ARG   1  -0.888 -13.361  -4.639
   12   2HH1  ARG   1          1HH2      ARG   1  -0.472 -14.044  -6.176
   13   1HH2  ARG   1          2HH1      ARG   1  -3.370 -16.104  -6.341
   14   2HH2  ARG   1          1HH1      ARG   1  -1.870 -15.614  -7.173
   15    H    SER   2           H        SER   2  -1.959 -12.895  -0.853
   16    HA   SER   2           HA       SER   2  -0.999 -11.117   1.175
   17   1HB   SER   2          2HB       SER   2   0.093 -13.055  -0.583
   18   2HB   SER   2          1HB       SER   2   0.899 -11.515  -0.970
   19    HG   SER   2           HG       SER   2   0.907 -11.542   1.647
   20    H    LYS   3           H        LYS   3  -2.981 -10.548  -1.298
   21    HA   LYS   3           HA       LYS   3  -1.614  -8.610  -2.834
   22   1HB   LYS   3          2HB       LYS   3  -4.094  -9.932  -2.829
   23   2HB   LYS   3          1HB       LYS   3  -4.459  -8.191  -2.801
   24   1HG   LYS   3          2HG       LYS   3  -2.277  -9.045  -4.622
   25   2HG   LYS   3          1HG       LYS   3  -3.903  -9.586  -5.093
   26   1HD   LYS   3          2HD       LYS   3  -4.708  -7.251  -4.904
   27   2HD   LYS   3          1HD       LYS   3  -3.057  -6.701  -4.543
   28   1HE   LYS   3          2HE       LYS   3  -2.644  -8.160  -6.814
   29   2HE   LYS   3          1HE       LYS   3  -4.266  -7.518  -7.145
   30   1HZ   LYS   3          1HZ       LYS   3  -1.855  -6.143  -7.361
   31   2HZ   LYS   3          2HZ       LYS   3  -3.348  -5.525  -7.554
   32    H    ASP   4           H        ASP   4  -2.821  -8.661   0.399
   33    HA   ASP   4           HA       ASP   4  -3.629  -6.012   0.605
   34   1HB   ASP   4          2HB       ASP   4  -3.385  -8.270   2.293
   35   2HB   ASP   4          1HB       ASP   4  -2.368  -7.004   3.047
   36    HD2  ASP   4           HD2      ASP   4  -5.163  -5.263   4.107
   37    H    LEU   5           H        LEU   5  -0.513  -7.591   0.326
   38    HA   LEU   5           HA       LEU   5   1.081  -5.779   1.744
   39   1HB   LEU   5          2HB       LEU   5   1.388  -8.132   0.485
   40   2HB   LEU   5          1HB       LEU   5   2.271  -7.038  -0.626
   41    HG   LEU   5           HG       LEU   5   3.773  -8.081   1.002
   42   1HD1  LEU   5          1HD1      LEU   5   4.639  -6.061   0.302
   43   2HD1  LEU   5          2HD1      LEU   5   3.340  -5.112   1.065
   44   3HD1  LEU   5          3HD1      LEU   5   4.610  -5.850   2.069
   45   1HD2  LEU   5          1HD2      LEU   5   1.948  -8.256   2.788
   46   2HD2  LEU   5          2HD2      LEU   5   3.598  -7.861   3.329
   47   3HD2  LEU   5          3HD2      LEU   5   2.370  -6.577   3.209
   48    H    ARG   6           H        ARG   6  -0.448  -5.692  -1.456
   49    HA   ARG   6           HA       ARG   6   1.181  -3.594  -2.391
   50   1HB   ARG   6          2HB       ARG   6  -1.482  -4.771  -3.300
   51   2HB   ARG   6          1HB       ARG   6  -0.720  -3.406  -4.146
   52   1HG   ARG   6          2HG       ARG   6   1.116  -5.664  -3.614
   53   2HG   ARG   6          1HG       ARG   6  -0.275  -6.112  -4.624
   54   1HD   ARG   6          2HD       ARG   6   0.316  -4.459  -6.273
   55   2HD   ARG   6          1HD       ARG   6   1.446  -3.654  -5.165
   56    HE   ARG   6           HE       ARG   6   1.917  -6.047  -6.787
   57   1HH1  ARG   6          2HH2      ARG   6   2.971  -4.250  -3.921
   58   2HH1  ARG   6          1HH2      ARG   6   4.558  -4.943  -3.918
   59   1HH2  ARG   6          2HH1      ARG   6   3.972  -6.955  -6.796
   60   2HH2  ARG   6          1HH1      ARG   6   5.161  -6.492  -5.549
   61    H    HIS   7           H        HIS   7  -1.573  -3.855  -0.264
   62    HA   HIS   7           HA       HIS   7  -2.613  -1.256  -0.778
   63   1HB   HIS   7          2HB       HIS   7  -3.314  -3.583   0.665
   64   2HB   HIS   7          1HB       HIS   7  -3.379  -2.205   1.800
   65    HD1  HIS   7           1HD      HIS   7  -4.682   0.013   0.477
   66    HD2  HIS   7           2HD      HIS   7  -5.750  -3.926  -0.494
   67    HE1  HIS   7           1HE      HIS   7  -7.002   0.141  -0.576
   68    H    ALA   8           H        ALA   8   0.039  -2.604   1.055
   69    HA   ALA   8           HA       ALA   8   0.185  -0.613   3.048
   70   1HB   ALA   8          1HB       ALA   8   1.712  -2.083   3.785
   71   2HB   ALA   8          2HB       ALA   8   1.557  -2.997   2.265
   72   3HB   ALA   8          3HB       ALA   8   2.766  -1.698   2.403
   73    H    PHE   9           H        PHE   9   1.184  -0.835  -0.353
   74    HA   PHE   9           HA       PHE   9   3.070   1.235  -0.301
   75   1HB   PHE   9          2HB       PHE   9   1.419  -0.373  -2.162
   76   2HB   PHE   9          1HB       PHE   9   1.863   1.220  -2.838
   77    HD1  PHE   9           1HD      PHE   9   3.974   1.545  -3.777
   78    HD2  PHE   9           2HD      PHE   9   3.305  -1.865  -1.343
   79    HE1  PHE   9           1HE      PHE   9   6.226   0.643  -4.423
   80    HE2  PHE   9           2HE      PHE   9   5.557  -2.768  -1.988
   81    HZ   PHE   9           HZ       PHE   9   6.990  -1.502  -3.521
   82    H    ARG  10           H        ARG  10  -0.446   1.204  -0.200
   83    HA   ARG  10           HA       ARG  10  -0.802   3.743  -1.323
   84   1HB   ARG  10          2HB       ARG  10  -2.578   1.926  -1.042
   85   2HB   ARG  10          1HB       ARG  10  -2.629   2.340   0.686
   86   1HG   ARG  10          2HG       ARG  10  -2.844   4.746  -0.923
   87   2HG   ARG  10          1HG       ARG  10  -4.032   3.549  -1.484
   88   1HD   ARG  10          2HD       ARG  10  -5.237   3.704   0.476
   89   2HD   ARG  10          1HD       ARG  10  -3.781   3.869   1.477
   90    HE   ARG  10           HE       ARG  10  -4.400   6.179  -0.238
   91   1HH1  ARG  10          2HH2      ARG  10  -4.867   4.691   2.944
   92   2HH1  ARG  10          1HH2      ARG  10  -5.266   6.186   3.722
   93   1HH2  ARG  10          2HH1      ARG  10  -4.915   8.127   0.759
   94   2HH2  ARG  10          1HH1      ARG  10  -5.304   8.165   2.500
   95    H    SER  11           H        SER  11   0.232   2.555   1.811
   96    HA   SER  11           HA       SER  11  -0.593   4.834   3.267
   97   1HB   SER  11          2HB       SER  11  -0.341   2.815   4.457
   98   2HB   SER  11          1HB       SER  11   1.304   2.531   3.844
   99    HG   SER  11           HG       SER  11   1.531   3.312   5.952
  100    H    MET  12           H        MET  12   1.935   4.156   1.024
  101    HA   MET  12           HA       MET  12   3.784   5.999   2.219
  102   1HB   MET  12          2HB       MET  12   3.788   3.871   0.261
  103   2HB   MET  12          1HB       MET  12   4.508   5.315  -0.487
  104   1HG   MET  12          2HG       MET  12   5.705   5.358   1.963
  105   2HG   MET  12          1HG       MET  12   5.539   3.606   1.736
  106   1HE   MET  12          1HE       MET  12   7.985   5.487   2.052
  107   2HE   MET  12          2HE       MET  12   8.606   3.862   1.671
  108   3HE   MET  12          3HE       MET  12   9.162   5.270   0.733
  109    H    PHE  13           H        PHE  13   1.030   6.141   0.176
  110    HA   PHE  13           HA       PHE  13   1.823   8.135  -1.621
  111   1HB   PHE  13          2HB       PHE  13  -0.415   6.571  -0.860
  112   2HB   PHE  13          1HB       PHE  13  -0.984   8.260  -0.724
  113    HD1  PHE  13           1HD      PHE  13   0.588   5.841  -3.071
  114    HD2  PHE  13           2HD      PHE  13  -1.621   9.438  -2.637
  115    HE1  PHE  13           1HE      PHE  13   0.215   5.912  -5.552
  116    HE2  PHE  13           2HE      PHE  13  -1.994   9.509  -5.117
  117    HZ   PHE  13           HZ       PHE  13  -1.072   7.745  -6.545
  118    HA   PRO  14           HA       PRO  14   0.064  11.106   1.624
  119   1HB   PRO  14          2HB       PRO  14  -0.496  10.206   4.133
  120   2HB   PRO  14          1HB       PRO  14  -1.719  10.358   2.874
  121   1HG   PRO  14          2HG       PRO  14  -0.420   7.936   3.934
  122   2HG   PRO  14          1HG       PRO  14  -1.912   8.063   2.997
  123   1HD   PRO  14          2HD       PRO  14   0.699   7.262   2.061
  124   2HD   PRO  14          1HD       PRO  14  -0.799   7.455   1.080
  125    H    SER  15           H        SER  15   2.333   8.705   2.515
  126    HA   SER  15           HA       SER  15   3.660  10.498   4.309
  127   1HB   SER  15          2HB       SER  15   3.773   8.273   4.978
  128   2HB   SER  15          1HB       SER  15   4.152   7.668   3.347
  129    HG   SER  15           HG       SER  15   6.094   7.599   4.457
  130    H    SER  16           H        SER  16   3.705   9.586   0.914
  131    HA   SER  16           HA       SER  16   6.363  10.214   0.375
  132   1HB   SER  16          2HB       SER  16   3.878   9.712  -1.113
  133   2HB   SER  16          1HB       SER  16   5.025  10.755  -1.987
  134    HG   SER  16           HG       SER  16   5.085   8.113  -1.878
  135    H    GLU  17           H        GLU  17   3.696  12.167   1.316
  136    HA   GLU  17           HA       GLU  17   4.535  14.470  -0.159
  137   1HB   GLU  17          2HB       GLU  17   2.180  13.631   1.271
  138   2HB   GLU  17          1HB       GLU  17   2.725  15.184   1.944
  139   1HG   GLU  17          2HG       GLU  17   2.380  16.290  -0.088
  140   2HG   GLU  17          1HG       GLU  17   2.634  14.819  -1.051
  141    HE2  GLU  17           HE2      GLU  17  -0.854  15.065  -1.309
  Start of MODEL    8
    1   1H    ARG   1          1H        ARG   1  -3.643 -14.778   0.110
    2   2H    ARG   1          2H        ARG   1  -2.244 -14.084  -0.516
    3    HA   ARG   1           HA       ARG   1  -4.066 -12.621  -0.511
    4   1HB   ARG   1          2HB       ARG   1  -3.929 -13.129   2.491
    5   2HB   ARG   1          1HB       ARG   1  -4.682 -11.660   1.833
    6   1HG   ARG   1          2HG       ARG   1  -5.700 -13.902   0.365
    7   2HG   ARG   1          1HG       ARG   1  -5.757 -14.331   2.088
    8   1HD   ARG   1          2HD       ARG   1  -6.653 -11.573   1.561
    9   2HD   ARG   1          1HD       ARG   1  -7.608 -12.773   0.670
   10    HE   ARG   1           HE       ARG   1  -7.429 -12.418   3.596
   11   1HH1  ARG   1          2HH2      ARG   1  -8.500 -14.498   0.935
   12   2HH1  ARG   1          1HH2      ARG   1  -9.631 -15.375   1.910
   13   1HH2  ARG   1          2HH1      ARG   1  -8.894 -13.547   4.875
   14   2HH2  ARG   1          1HH1      ARG   1  -9.879 -14.854   4.164
   15    H    SER   2           H        SER   2  -1.509 -12.321  -1.193
   16    HA   SER   2           HA       SER   2  -0.277 -10.455   0.635
   17   1HB   SER   2          2HB       SER   2   0.614 -12.348  -1.335
   18   2HB   SER   2          1HB       SER   2   1.294 -10.750  -1.729
   19    HG   SER   2           HG       SER   2   2.234 -12.454   0.066
   20    H    LYS   3           H        LYS   3  -2.736 -10.132  -1.377
   21    HA   LYS   3           HA       LYS   3  -1.801  -8.145  -3.197
   22   1HB   LYS   3          2HB       LYS   3  -4.409  -9.360  -2.441
   23   2HB   LYS   3          1HB       LYS   3  -4.422  -7.831  -3.348
   24   1HG   LYS   3          2HG       LYS   3  -4.317  -9.197  -5.147
   25   2HG   LYS   3          1HG       LYS   3  -2.573  -9.223  -4.797
   26   1HD   LYS   3          2HD       LYS   3  -2.871 -11.466  -4.822
   27   2HD   LYS   3          1HD       LYS   3  -3.412 -11.227  -3.147
   28   1HE   LYS   3          2HE       LYS   3  -5.541 -11.758  -3.629
   29   2HE   LYS   3          1HE       LYS   3  -5.566 -10.803  -5.125
   30   1HZ   LYS   3          1HZ       LYS   3  -4.056 -13.322  -5.101
   31   2HZ   LYS   3          2HZ       LYS   3  -5.677 -13.408  -5.228
   32    H    ASP   4           H        ASP   4  -2.733  -8.247   0.161
   33    HA   ASP   4           HA       ASP   4  -3.624  -5.579   0.294
   34   1HB   ASP   4          2HB       ASP   4  -3.507  -7.826   2.010
   35   2HB   ASP   4          1HB       ASP   4  -2.496  -6.578   2.796
   36    HD2  ASP   4           HD2      ASP   4  -5.347  -4.587   3.394
   37    H    LEU   5           H        LEU   5  -0.534  -7.227   0.167
   38    HA   LEU   5           HA       LEU   5   1.033  -5.438   1.642
   39   1HB   LEU   5          2HB       LEU   5   1.320  -7.787   0.241
   40   2HB   LEU   5          1HB       LEU   5   2.426  -6.644  -0.587
   41    HG   LEU   5           HG       LEU   5   2.489  -6.912   2.402
   42   1HD1  LEU   5          1HD1      LEU   5   4.153  -8.702   0.634
   43   2HD1  LEU   5          2HD1      LEU   5   3.918  -8.772   2.396
   44   3HD1  LEU   5          3HD1      LEU   5   2.586  -9.218   1.303
   45   1HD2  LEU   5          1HD2      LEU   5   4.982  -6.626   0.876
   46   2HD2  LEU   5          2HD2      LEU   5   3.822  -5.298   0.631
   47   3HD2  LEU   5          3HD2      LEU   5   4.372  -5.709   2.274
   48    H    ARG   6           H        ARG   6  -0.348  -5.345  -1.624
   49    HA   ARG   6           HA       ARG   6   1.367  -3.289  -2.499
   50   1HB   ARG   6          2HB       ARG   6  -0.705  -4.958  -3.609
   51   2HB   ARG   6          1HB       ARG   6  -1.122  -3.267  -3.964
   52   1HG   ARG   6          2HG       ARG   6   0.343  -3.445  -5.691
   53   2HG   ARG   6          1HG       ARG   6   1.639  -3.449  -4.475
   54   1HD   ARG   6          2HD       ARG   6   1.110  -6.035  -4.351
   55   2HD   ARG   6          1HD       ARG   6   0.321  -5.767  -5.918
   56    HE   ARG   6           HE       ARG   6   2.799  -4.562  -6.194
   57   1HH1  ARG   6          2HH2      ARG   6   1.761  -7.800  -5.199
   58   2HH1  ARG   6          1HH2      ARG   6   3.197  -8.575  -5.781
   59   1HH2  ARG   6          2HH1      ARG   6   4.667  -5.553  -6.954
   60   2HH2  ARG   6          1HH1      ARG   6   4.874  -7.317  -6.789
   61    H    HIS   7           H        HIS   7  -1.483  -3.474  -0.497
   62    HA   HIS   7           HA       HIS   7  -2.445  -0.858  -1.076
   63   1HB   HIS   7          2HB       HIS   7  -3.314  -3.150   0.261
   64   2HB   HIS   7          1HB       HIS   7  -3.295  -1.856   1.492
   65    HD1  HIS   7           1HD      HIS   7  -5.978  -2.087   1.456
   66    HD2  HIS   7           2HD      HIS   7  -4.211  -0.626  -2.057
   67    HE1  HIS   7           1HE      HIS   7  -7.858  -1.021   0.100
   68    H    ALA   8           H        ALA   8   0.093  -2.247   0.885
   69    HA   ALA   8           HA       ALA   8   0.192  -0.243   2.867
   70   1HB   ALA   8          1HB       ALA   8   1.467  -2.681   2.269
   71   2HB   ALA   8          2HB       ALA   8   2.761  -1.461   2.237
   72   3HB   ALA   8          3HB       ALA   8   1.748  -1.645   3.689
   73    H    PHE   9           H        PHE   9   1.338  -0.514  -0.483
   74    HA   PHE   9           HA       PHE   9   3.263   1.516  -0.361
   75   1HB   PHE   9          2HB       PHE   9   1.662  -0.071  -2.282
   76   2HB   PHE   9          1HB       PHE   9   2.172   1.506  -2.949
   77    HD1  PHE   9           1HD      PHE   9   4.109   1.473  -4.179
   78    HD2  PHE   9           2HD      PHE   9   3.698  -1.293  -0.986
   79    HE1  PHE   9           1HE      PHE   9   6.367   0.517  -4.715
   80    HE2  PHE   9           2HE      PHE   9   5.956  -2.248  -1.523
   81    HZ   PHE   9           HZ       PHE   9   7.263  -1.332  -3.381
   82    H    ARG  10           H        ARG  10  -0.253   1.560  -0.420
   83    HA   ARG  10           HA       ARG  10  -0.503   4.096  -1.576
   84   1HB   ARG  10          2HB       ARG  10  -2.231   2.032  -0.542
   85   2HB   ARG  10          1HB       ARG  10  -2.708   3.569   0.211
   86   1HG   ARG  10          2HG       ARG  10  -3.962   3.300  -1.847
   87   2HG   ARG  10          1HG       ARG  10  -2.739   4.557  -2.141
   88   1HD   ARG  10          2HD       ARG  10  -1.283   2.751  -3.168
   89   2HD   ARG  10          1HD       ARG  10  -2.631   1.617  -2.967
   90    HE   ARG  10           HE       ARG  10  -3.402   4.049  -4.369
   91   1HH1  ARG  10          2HH2      ARG  10  -1.841   0.897  -4.804
   92   2HH1  ARG  10          1HH2      ARG  10  -2.204   0.813  -6.496
   93   1HH2  ARG  10          2HH1      ARG  10  -3.880   3.952  -6.563
   94   2HH2  ARG  10          1HH1      ARG  10  -3.367   2.542  -7.529
   95    H    SER  11           H        SER  11   0.363   2.913   1.611
   96    HA   SER  11           HA       SER  11  -0.479   5.220   3.012
   97   1HB   SER  11          2HB       SER  11   0.031   2.773   3.805
   98   2HB   SER  11          1HB       SER  11   1.691   3.377   4.023
   99    HG   SER  11           HG       SER  11  -0.593   3.838   5.556
  100    H    MET  12           H        MET  12   2.133   4.472   0.890
  101    HA   MET  12           HA       MET  12   3.965   6.285   2.155
  102   1HB   MET  12          2HB       MET  12   4.001   4.154   0.190
  103   2HB   MET  12          1HB       MET  12   4.817   5.577  -0.498
  104   1HG   MET  12          2HG       MET  12   6.272   5.718   1.473
  105   2HG   MET  12          1HG       MET  12   5.472   4.318   2.212
  106   1HE   MET  12          1HE       MET  12   8.836   4.926   0.797
  107   2HE   MET  12          2HE       MET  12   8.205   4.154   2.272
  108   3HE   MET  12          3HE       MET  12   9.076   3.182   1.061
  109    H    PHE  13           H        PHE  13   1.309   6.468  -0.012
  110    HA   PHE  13           HA       PHE  13   2.225   8.430  -1.786
  111   1HB   PHE  13          2HB       PHE  13  -0.078   6.919  -1.114
  112   2HB   PHE  13          1HB       PHE  13  -0.617   8.620  -1.018
  113    HD1  PHE  13           1HD      PHE  13   0.606   9.985  -3.142
  114    HD2  PHE  13           2HD      PHE  13  -0.741   5.961  -3.097
  115    HE1  PHE  13           1HE      PHE  13   0.346  10.043  -5.639
  116    HE2  PHE  13           2HE      PHE  13  -1.001   6.019  -5.592
  117    HZ   PHE  13           HZ       PHE  13  -0.454   8.059  -6.833
  118    HA   PRO  14           HA       PRO  14   0.384  11.463   1.354
  119   1HB   PRO  14          2HB       PRO  14  -0.305  10.595   3.844
  120   2HB   PRO  14          1HB       PRO  14  -1.468  10.763   2.528
  121   1HG   PRO  14          2HG       PRO  14  -0.268   8.324   3.664
  122   2HG   PRO  14          1HG       PRO  14  -1.715   8.473   2.659
  123   1HD   PRO  14          2HD       PRO  14   0.918   7.612   1.848
  124   2HD   PRO  14          1HD       PRO  14  -0.530   7.827   0.799
  125    H    SER  15           H        SER  15   2.560   9.023   2.364
  126    HA   SER  15           HA       SER  15   3.843  10.803   4.202
  127   1HB   SER  15          2HB       SER  15   4.020   7.962   3.420
  128   2HB   SER  15          1HB       SER  15   5.568   8.682   3.926
  129    HG   SER  15           HG       SER  15   4.899   8.707   5.962
  130    H    SER  16           H        SER  16   4.021   9.862   0.821
  131    HA   SER  16           HA       SER  16   6.718  10.457   0.414
  132   1HB   SER  16          2HB       SER  16   4.358   9.798  -1.153
  133   2HB   SER  16          1HB       SER  16   5.394  10.964  -2.015
  134    HG   SER  16           HG       SER  16   6.030   8.308  -1.093
  135    H    GLU  17           H        GLU  17   3.894  12.417   0.973
  136    HA   GLU  17           HA       GLU  17   4.965  14.692  -0.399
  137   1HB   GLU  17          2HB       GLU  17   2.395  13.872   0.654
  138   2HB   GLU  17          1HB       GLU  17   2.814  15.473   1.299
  139   1HG   GLU  17          2HG       GLU  17   2.572  16.449  -0.757
  140   2HG   GLU  17          1HG       GLU  17   3.379  15.102  -1.594
  141    HE2  GLU  17           HE2      GLU  17  -0.489  15.390  -1.780
  Start of MODEL    9
    1   1H    ARG   1          1H        ARG   1  -3.062 -15.039  -0.073
    2   2H    ARG   1          2H        ARG   1  -1.679 -14.118  -0.330
    3    HA   ARG   1           HA       ARG   1  -3.843 -12.992  -0.220
    4   1HB   ARG   1          2HB       ARG   1  -3.357 -13.644   2.723
    5   2HB   ARG   1          1HB       ARG   1  -4.431 -12.328   2.202
    6   1HG   ARG   1          2HG       ARG   1  -5.702 -14.070   0.849
    7   2HG   ARG   1          1HG       ARG   1  -4.681 -15.311   1.609
    8   1HD   ARG   1          2HD       ARG   1  -6.159 -15.326   3.333
    9   2HD   ARG   1          1HD       ARG   1  -5.687 -13.657   3.708
   10    HE   ARG   1           HE       ARG   1  -7.768 -13.021   2.885
   11   1HH1  ARG   1          2HH2      ARG   1  -6.867 -16.073   1.328
   12   2HH1  ARG   1          1HH2      ARG   1  -8.350 -16.204   0.445
   13   1HH2  ARG   1          2HH1      ARG   1  -9.700 -13.178   1.749
   14   2HH2  ARG   1          1HH1      ARG   1  -9.988 -14.565   0.663
   15    H    SER   2           H        SER   2  -1.327 -12.369  -1.008
   16    HA   SER   2           HA       SER   2  -0.281 -10.428   0.859
   17   1HB   SER   2          2HB       SER   2   0.784 -12.126  -1.191
   18   2HB   SER   2          1HB       SER   2   1.222 -10.444  -1.575
   19    HG   SER   2           HG       SER   2   1.593 -11.537   1.066
   20    H    LYS   3           H        LYS   3  -2.843 -10.328  -1.015
   21    HA   LYS   3           HA       LYS   3  -2.283  -8.260  -2.867
   22   1HB   LYS   3          2HB       LYS   3  -4.106  -9.972  -2.976
   23   2HB   LYS   3          1HB       LYS   3  -4.981  -9.040  -1.740
   24   1HG   LYS   3          2HG       LYS   3  -5.617  -7.480  -3.212
   25   2HG   LYS   3          1HG       LYS   3  -3.994  -7.333  -3.923
   26   1HD   LYS   3          2HD       LYS   3  -4.751  -9.784  -4.846
   27   2HD   LYS   3          1HD       LYS   3  -6.326  -8.960  -4.820
   28   1HE   LYS   3          2HE       LYS   3  -4.205  -7.263  -5.892
   29   2HE   LYS   3          1HE       LYS   3  -4.375  -8.755  -6.840
   30   1HZ   LYS   3          1HZ       LYS   3  -6.190  -7.840  -7.762
   31   2HZ   LYS   3          2HZ       LYS   3  -6.943  -7.810  -6.318
   32    H    ASP   4           H        ASP   4  -2.791  -8.395   0.578
   33    HA   ASP   4           HA       ASP   4  -3.742  -5.713   0.734
   34   1HB   ASP   4          2HB       ASP   4  -3.409  -8.001   2.504
   35   2HB   ASP   4          1HB       ASP   4  -2.732  -6.529   3.262
   36    HD2  ASP   4           HD2      ASP   4  -6.672  -6.984   2.792
   37    H    LEU   5           H        LEU   5  -0.698  -7.444   0.564
   38    HA   LEU   5           HA       LEU   5   0.935  -5.704   2.027
   39   1HB   LEU   5          2HB       LEU   5   1.271  -8.060   1.082
   40   2HB   LEU   5          1HB       LEU   5   1.902  -7.218  -0.368
   41    HG   LEU   5           HG       LEU   5   3.133  -6.127   1.982
   42   1HD1  LEU   5          1HD1      LEU   5   2.768  -8.093   3.220
   43   2HD1  LEU   5          2HD1      LEU   5   3.122  -9.142   1.827
   44   3HD1  LEU   5          3HD1      LEU   5   4.433  -8.227   2.607
   45   1HD2  LEU   5          1HD2      LEU   5   3.964  -6.111  -0.377
   46   2HD2  LEU   5          2HD2      LEU   5   5.168  -6.624   0.829
   47   3HD2  LEU   5          3HD2      LEU   5   4.360  -7.837  -0.194
   48    H    ARG   6           H        ARG   6  -0.485  -5.558  -1.222
   49    HA   ARG   6           HA       ARG   6   1.274  -3.544  -2.110
   50   1HB   ARG   6          2HB       ARG   6  -0.545  -5.233  -3.329
   51   2HB   ARG   6          1HB       ARG   6  -1.420  -3.688  -3.376
   52   1HG   ARG   6          2HG       ARG   6  -0.128  -3.850  -5.404
   53   2HG   ARG   6          1HG       ARG   6   0.732  -2.691  -4.368
   54   1HD   ARG   6          2HD       ARG   6   2.554  -4.068  -4.236
   55   2HD   ARG   6          1HD       ARG   6   1.553  -5.509  -3.968
   56    HE   ARG   6           HE       ARG   6   1.366  -4.546  -6.697
   57   1HH1  ARG   6          2HH2      ARG   6   3.468  -6.370  -4.505
   58   2HH1  ARG   6          1HH2      ARG   6   4.230  -7.264  -5.778
   59   1HH2  ARG   6          2HH1      ARG   6   2.347  -5.698  -8.361
   60   2HH2  ARG   6          1HH1      ARG   6   3.610  -6.901  -7.991
   61    H    HIS   7           H        HIS   7  -1.555  -3.663  -0.072
   62    HA   HIS   7           HA       HIS   7  -2.453  -1.020  -0.627
   63   1HB   HIS   7          2HB       HIS   7  -3.126  -3.235   1.187
   64   2HB   HIS   7          1HB       HIS   7  -3.580  -1.604   1.756
   65    HD1  HIS   7           1HD      HIS   7  -4.974  -4.349  -0.051
   66    HD2  HIS   7           2HD      HIS   7  -5.061  -0.183  -0.535
   67    HE1  HIS   7           1HE      HIS   7  -6.983  -3.844  -1.540
   68    H    ALA   8           H        ALA   8   0.070  -2.485   1.296
   69    HA   ALA   8           HA       ALA   8   0.248  -0.491   3.284
   70   1HB   ALA   8          1HB       ALA   8   1.225  -2.907   3.167
   71   2HB   ALA   8          2HB       ALA   8   2.566  -2.150   2.274
   72   3HB   ALA   8          3HB       ALA   8   2.197  -1.630   3.936
   73    H    PHE   9           H        PHE   9   1.339  -0.782  -0.081
   74    HA   PHE   9           HA       PHE   9   3.302   1.236   0.059
   75   1HB   PHE   9          2HB       PHE   9   2.247  -0.663  -1.705
   76   2HB   PHE   9          1HB       PHE   9   1.811   0.878  -2.494
   77    HD1  PHE   9           1HD      PHE   9   3.500   2.288  -3.450
   78    HD2  PHE   9           2HD      PHE   9   4.593  -1.273  -1.418
   79    HE1  PHE   9           1HE      PHE   9   5.822   2.465  -4.388
   80    HE2  PHE   9           2HE      PHE   9   6.914  -1.097  -2.356
   81    HZ   PHE   9           HZ       PHE   9   7.501   0.770  -3.830
   82    H    ARG  10           H        ARG  10  -0.206   1.262  -0.076
   83    HA   ARG  10           HA       ARG  10  -0.425   3.775  -1.305
   84   1HB   ARG  10          2HB       ARG  10  -2.181   1.737  -0.669
   85   2HB   ARG  10          1HB       ARG  10  -2.611   2.959   0.548
   86   1HG   ARG  10          2HG       ARG  10  -3.995   3.390  -1.358
   87   2HG   ARG  10          1HG       ARG  10  -2.709   4.613  -1.442
   88   1HD   ARG  10          2HD       ARG  10  -1.528   3.254  -3.124
   89   2HD   ARG  10          1HD       ARG  10  -2.716   1.949  -2.942
   90    HE   ARG  10           HE       ARG  10  -4.152   3.163  -4.333
   91   1HH1  ARG  10          2HH2      ARG  10  -1.657   5.354  -3.096
   92   2HH1  ARG  10          1HH2      ARG  10  -2.151   6.680  -4.094
   93   1HH2  ARG  10          2HH1      ARG  10  -4.804   4.875  -5.634
   94   2HH2  ARG  10          1HH1      ARG  10  -3.947   6.437  -5.554
   95    H    SER  11           H        SER  11   0.284   2.634   1.940
   96    HA   SER  11           HA       SER  11  -0.617   4.965   3.260
   97   1HB   SER  11          2HB       SER  11  -0.236   2.576   4.162
   98   2HB   SER  11          1HB       SER  11   1.468   3.053   4.352
   99    HG   SER  11           HG       SER  11   0.931   4.532   5.905
  100    H    MET  12           H        MET  12   2.098   4.172   1.288
  101    HA   MET  12           HA       MET  12   3.869   5.999   2.617
  102   1HB   MET  12          2HB       MET  12   4.033   3.797   0.791
  103   2HB   MET  12          1HB       MET  12   4.773   5.190  -0.028
  104   1HG   MET  12          2HG       MET  12   6.160   5.583   2.022
  105   2HG   MET  12          1HG       MET  12   5.532   4.074   2.715
  106   1HE   MET  12          1HE       MET  12   9.056   4.591   0.118
  107   2HE   MET  12          2HE       MET  12   7.985   5.830   0.814
  108   3HE   MET  12          3HE       MET  12   8.877   4.722   1.884
  109    H    PHE  13           H        PHE  13   1.331   6.156   0.313
  110    HA   PHE  13           HA       PHE  13   2.346   8.085  -1.443
  111   1HB   PHE  13          2HB       PHE  13   0.004   6.595  -0.867
  112   2HB   PHE  13          1HB       PHE  13  -0.529   8.301  -0.827
  113    HD1  PHE  13           1HD      PHE  13   0.621   5.553  -2.925
  114    HD2  PHE  13           2HD      PHE  13  -0.373   9.677  -2.847
  115    HE1  PHE  13           1HE      PHE  13   0.491   5.569  -5.431
  116    HE2  PHE  13           2HE      PHE  13  -0.502   9.694  -5.354
  117    HZ   PHE  13           HZ       PHE  13  -0.069   7.638  -6.616
  118    HA   PRO  14           HA       PRO  14   0.364  11.179   1.546
  119   1HB   PRO  14          2HB       PRO  14  -0.459  10.357   4.010
  120   2HB   PRO  14          1HB       PRO  14  -1.551  10.506   2.635
  121   1HG   PRO  14          2HG       PRO  14  -0.421   8.080   3.870
  122   2HG   PRO  14          1HG       PRO  14  -1.817   8.220   2.790
  123   1HD   PRO  14          2HD       PRO  14   0.847   7.333   2.133
  124   2HD   PRO  14          1HD       PRO  14  -0.540   7.538   1.005
  125    H    SER  15           H        SER  15   2.471   8.745   2.708
  126    HA   SER  15           HA       SER  15   3.667  10.550   4.581
  127   1HB   SER  15          2HB       SER  15   3.524   8.226   5.159
  128   2HB   SER  15          1HB       SER  15   4.385   7.728   3.684
  129    HG   SER  15           HG       SER  15   5.443   9.198   5.940
  130    H    SER  16           H        SER  16   4.015   9.552   1.229
  131    HA   SER  16           HA       SER  16   6.741  10.217   0.999
  132   1HB   SER  16          2HB       SER  16   4.501   9.458  -0.775
  133   2HB   SER  16          1HB       SER  16   5.786  10.407  -1.564
  134    HG   SER  16           HG       SER  16   6.764   8.361   0.066
  135    H    GLU  17           H        GLU  17   3.828  12.046   1.302
  136    HA   GLU  17           HA       GLU  17   4.890  14.282  -0.177
  137   1HB   GLU  17          2HB       GLU  17   2.236  13.555   1.027
  138   2HB   GLU  17          1HB       GLU  17   2.610  15.281   0.824
  139   1HG   GLU  17          2HG       GLU  17   3.369  13.888  -1.579
  140   2HG   GLU  17          1HG       GLU  17   1.731  13.361  -1.131
  141    HE2  GLU  17           HE2      GLU  17   2.398  17.194  -2.144
  Start of MODEL   10
    1   1H    ARG   1          1H        ARG   1  -3.535 -13.145   2.999
    2   2H    ARG   1          2H        ARG   1  -3.604 -14.631   2.216
    3    HA   ARG   1           HA       ARG   1  -2.703 -13.860   0.323
    4   1HB   ARG   1          2HB       ARG   1  -4.297 -12.051  -0.352
    5   2HB   ARG   1          1HB       ARG   1  -5.108 -13.301   0.620
    6   1HG   ARG   1          2HG       ARG   1  -4.660 -11.763   2.639
    7   2HG   ARG   1          1HG       ARG   1  -4.194 -10.518   1.457
    8   1HD   ARG   1          2HD       ARG   1  -6.822 -11.954   1.097
    9   2HD   ARG   1          1HD       ARG   1  -6.699 -10.741   2.386
   10    HE   ARG   1           HE       ARG   1  -5.648  -9.434   0.217
   11   1HH1  ARG   1          2HH2      ARG   1  -8.644 -11.277   0.638
   12   2HH1  ARG   1          1HH2      ARG   1  -9.518 -10.367  -0.548
   13   1HH2  ARG   1          2HH1      ARG   1  -6.767  -8.244  -1.325
   14   2HH2  ARG   1          1HH1      ARG   1  -8.471  -8.627  -1.687
   15    H    SER   2           H        SER   2  -1.165 -12.557  -0.723
   16    HA   SER   2           HA       SER   2   0.081 -10.583   0.980
   17   1HB   SER   2          2HB       SER   2   0.951 -12.473  -0.991
   18   2HB   SER   2          1HB       SER   2   1.475 -10.853  -1.507
   19    HG   SER   2           HG       SER   2   2.115 -10.788   0.981
   20    H    LYS   3           H        LYS   3  -2.524 -10.471  -0.887
   21    HA   LYS   3           HA       LYS   3  -1.838  -8.454  -2.782
   22   1HB   LYS   3          2HB       LYS   3  -4.392  -9.680  -1.798
   23   2HB   LYS   3          1HB       LYS   3  -4.402  -8.320  -2.942
   24   1HG   LYS   3          2HG       LYS   3  -2.547 -10.521  -3.619
   25   2HG   LYS   3          1HG       LYS   3  -4.265 -10.974  -3.686
   26   1HD   LYS   3          2HD       LYS   3  -3.987  -8.405  -4.887
   27   2HD   LYS   3          1HD       LYS   3  -2.733  -9.443  -5.600
   28   1HE   LYS   3          2HE       LYS   3  -4.369 -11.094  -6.244
   29   2HE   LYS   3          1HE       LYS   3  -5.674 -10.241  -5.390
   30   1HZ   LYS   3          1HZ       LYS   3  -4.246  -8.691  -7.394
   31   2HZ   LYS   3          2HZ       LYS   3  -5.174  -9.891  -7.987
   32    H    ASP   4           H        ASP   4  -2.460  -8.549   0.626
   33    HA   ASP   4           HA       ASP   4  -3.479  -5.887   0.722
   34   1HB   ASP   4          2HB       ASP   4  -3.169  -8.149   2.524
   35   2HB   ASP   4          1HB       ASP   4  -2.530  -6.664   3.289
   36    HD2  ASP   4           HD2      ASP   4  -5.988  -6.878   4.197
   37    H    LEU   5           H        LEU   5  -0.398  -7.555   0.660
   38    HA   LEU   5           HA       LEU   5   1.153  -5.771   2.158
   39   1HB   LEU   5          2HB       LEU   5   1.491  -7.998   0.359
   40   2HB   LEU   5          1HB       LEU   5   2.838  -6.822   0.252
   41    HG   LEU   5           HG       LEU   5   3.332  -8.647   1.816
   42   1HD1  LEU   5          1HD1      LEU   5   4.343  -6.465   2.193
   43   2HD1  LEU   5          2HD1      LEU   5   2.941  -5.963   3.168
   44   3HD1  LEU   5          3HD1      LEU   5   3.998  -7.275   3.741
   45   1HD2  LEU   5          1HD2      LEU   5   1.289  -9.395   2.646
   46   2HD2  LEU   5          2HD2      LEU   5   2.035  -8.584   4.044
   47   3HD2  LEU   5          3HD2      LEU   5   0.763  -7.759   3.111
   48    H    ARG   6           H        ARG   6  -0.167  -5.682  -1.135
   49    HA   ARG   6           HA       ARG   6   1.578  -3.642  -1.987
   50   1HB   ARG   6          2HB       ARG   6  -0.508  -5.292  -3.119
   51   2HB   ARG   6          1HB       ARG   6  -0.865  -3.595  -3.511
   52   1HG   ARG   6          2HG       ARG   6   1.548  -3.415  -4.321
   53   2HG   ARG   6          1HG       ARG   6   1.681  -5.172  -4.092
   54   1HD   ARG   6          2HD       ARG   6  -0.667  -4.876  -5.579
   55   2HD   ARG   6          1HD       ARG   6   0.386  -3.605  -6.235
   56    HE   ARG   6           HE       ARG   6   1.669  -6.228  -5.913
   57   1HH1  ARG   6          2HH2      ARG   6  -0.205  -4.157  -8.092
   58   2HH1  ARG   6          1HH2      ARG   6   0.298  -4.994  -9.522
   59   1HH2  ARG   6          2HH1      ARG   6   2.331  -7.324  -7.757
   60   2HH2  ARG   6          1HH1      ARG   6   1.748  -6.809  -9.363
   61    H    HIS   7           H        HIS   7  -1.311  -3.800  -0.037
   62    HA   HIS   7           HA       HIS   7  -2.244  -1.180  -0.646
   63   1HB   HIS   7          2HB       HIS   7  -2.865  -3.272   1.387
   64   2HB   HIS   7          1HB       HIS   7  -3.578  -1.641   1.538
   65    HD1  HIS   7           1HD      HIS   7  -3.168  -3.986  -1.482
   66    HD2  HIS   7           2HD      HIS   7  -6.116  -1.817   0.566
   67    HE1  HIS   7           1HE      HIS   7  -5.336  -4.321  -2.785
   68    H    ALA   8           H        ALA   8   0.247  -2.576   1.367
   69    HA   ALA   8           HA       ALA   8   0.322  -0.563   3.343
   70   1HB   ALA   8          1HB       ALA   8   2.587  -2.330   2.339
   71   2HB   ALA   8          2HB       ALA   8   2.431  -1.575   3.944
   72   3HB   ALA   8          3HB       ALA   8   1.323  -2.882   3.463
   73    H    PHE   9           H        PHE   9   1.528  -0.857   0.016
   74    HA   PHE   9           HA       PHE   9   3.465   1.162   0.165
   75   1HB   PHE   9          2HB       PHE   9   1.890  -0.424  -1.778
   76   2HB   PHE   9          1HB       PHE   9   2.424   1.144  -2.443
   77    HD1  PHE   9           1HD      PHE   9   3.965  -1.536  -0.333
   78    HD2  PHE   9           2HD      PHE   9   4.311   0.973  -3.739
   79    HE1  PHE   9           1HE      PHE   9   6.226  -2.510  -0.820
   80    HE2  PHE   9           2HE      PHE   9   6.572  -0.002  -4.226
   81    HZ   PHE   9           HZ       PHE   9   7.502  -1.731  -2.761
   82    H    ARG  10           H        ARG  10  -0.050   1.226   0.038
   83    HA   ARG  10           HA       ARG  10  -0.263   3.758  -1.134
   84   1HB   ARG  10          2HB       ARG  10  -2.089   1.953  -0.903
   85   2HB   ARG  10          1HB       ARG  10  -2.271   2.489   0.783
   86   1HG   ARG  10          2HG       ARG  10  -2.502   4.879  -0.367
   87   2HG   ARG  10          1HG       ARG  10  -2.919   3.913  -1.801
   88   1HD   ARG  10          2HD       ARG  10  -4.852   3.023  -0.737
   89   2HD   ARG  10          1HD       ARG  10  -4.255   3.423   0.885
   90    HE   ARG  10           HE       ARG  10  -4.489   5.878  -0.371
   91   1HH1  ARG  10          2HH2      ARG  10  -6.722   3.172   0.118
   92   2HH1  ARG  10          1HH2      ARG  10  -8.134   4.176   0.125
   93   1HH2  ARG  10          2HH1      ARG  10  -6.309   7.194  -0.364
   94   2HH2  ARG  10          1HH1      ARG  10  -7.929   6.479  -0.147
   95    H    SER  11           H        SER  11   0.533   2.585   2.074
   96    HA   SER  11           HA       SER  11  -0.319   4.905   3.447
   97   1HB   SER  11          2HB       SER  11   0.253   2.413   4.208
   98   2HB   SER  11          1HB       SER  11   1.832   3.146   4.582
   99    HG   SER  11           HG       SER  11  -0.683   4.240   5.499
  100    H    MET  12           H        MET  12   2.327   4.129   1.378
  101    HA   MET  12           HA       MET  12   4.148   5.935   2.670
  102   1HB   MET  12          2HB       MET  12   4.194   3.813   0.676
  103   2HB   MET  12          1HB       MET  12   5.077   5.227   0.059
  104   1HG   MET  12          2HG       MET  12   6.815   4.343   1.215
  105   2HG   MET  12          1HG       MET  12   6.051   5.112   2.621
  106   1HE   MET  12          1HE       MET  12   5.426   3.139   4.920
  107   2HE   MET  12          2HE       MET  12   6.933   2.269   4.544
  108   3HE   MET  12          3HE       MET  12   6.817   4.020   4.244
  109    H    PHE  13           H        PHE  13   1.535   6.126   0.452
  110    HA   PHE  13           HA       PHE  13   2.498   8.076  -1.312
  111   1HB   PHE  13          2HB       PHE  13   0.172   6.583  -0.679
  112   2HB   PHE  13          1HB       PHE  13  -0.356   8.288  -0.600
  113    HD1  PHE  13           1HD      PHE  13  -0.463   5.623  -2.669
  114    HD2  PHE  13           2HD      PHE  13   0.922   9.634  -2.707
  115    HE1  PHE  13           1HE      PHE  13  -0.673   5.672  -5.170
  116    HE2  PHE  13           2HE      PHE  13   0.712   9.683  -5.207
  117    HZ   PHE  13           HZ       PHE  13  -0.084   7.702  -6.409
  118    HA   PRO  14           HA       PRO  14   0.618  11.134   1.780
  119   1HB   PRO  14          2HB       PRO  14  -0.126  10.281   4.257
  120   2HB   PRO  14          1HB       PRO  14  -1.262  10.450   2.920
  121   1HG   PRO  14          2HG       PRO  14  -0.101   8.009   4.088
  122   2HG   PRO  14          1HG       PRO  14  -1.527   8.163   3.055
  123   1HD   PRO  14          2HD       PRO  14   1.112   7.277   2.299
  124   2HD   PRO  14          1HD       PRO  14  -0.310   7.502   1.221
  125    H    SER  15           H        SER  15   2.756   8.682   2.841
  126    HA   SER  15           HA       SER  15   4.015  10.461   4.698
  127   1HB   SER  15          2HB       SER  15   3.789   7.739   4.479
  128   2HB   SER  15          1HB       SER  15   5.463   7.993   3.933
  129    HG   SER  15           HG       SER  15   6.050   8.717   5.912
  130    H    SER  16           H        SER  16   4.254   9.506   1.324
  131    HA   SER  16           HA       SER  16   6.962  10.084   0.969
  132   1HB   SER  16          2HB       SER  16   4.634   9.423  -0.641
  133   2HB   SER  16          1HB       SER  16   5.682  10.586  -1.487
  134    HG   SER  16           HG       SER  16   7.068   9.009  -1.871
  135    H    GLU  17           H        GLU  17   4.128  12.059   1.443
  136    HA   GLU  17           HA       GLU  17   5.316  14.330   0.134
  137   1HB   GLU  17          2HB       GLU  17   2.842  13.831   0.008
  138   2HB   GLU  17          1HB       GLU  17   2.732  14.189   1.744
  139   1HG   GLU  17          2HG       GLU  17   2.777  16.431   1.341
  140   2HG   GLU  17          1HG       GLU  17   4.133  16.278   0.202
  141    HE2  GLU  17           HE2      GLU  17   1.933  15.997  -2.536
  Start of MODEL   11
    1   1H    ARG   1          1H        ARG   1  -3.736 -10.882   3.133
    2   2H    ARG   1          2H        ARG   1  -4.683 -12.271   3.091
    3    HA   ARG   1           HA       ARG   1  -3.497 -13.071   1.248
    4   1HB   ARG   1          2HB       ARG   1  -5.483 -11.117   1.285
    5   2HB   ARG   1          1HB       ARG   1  -4.278 -10.413   0.185
    6   1HG   ARG   1          2HG       ARG   1  -4.790 -11.932  -1.440
    7   2HG   ARG   1          1HG       ARG   1  -4.781 -13.286  -0.289
    8   1HD   ARG   1          2HD       ARG   1  -7.049 -13.292  -0.344
    9   2HD   ARG   1          1HD       ARG   1  -7.078 -11.617   0.245
   10    HE   ARG   1           HE       ARG   1  -7.515 -10.932  -1.950
   11   1HH1  ARG   1          2HH2      ARG   1  -6.262 -14.245  -2.023
   12   2HH1  ARG   1          1HH2      ARG   1  -6.563 -14.454  -3.716
   13   1HH2  ARG   1          2HH1      ARG   1  -7.909 -11.187  -4.149
   14   2HH2  ARG   1          1HH1      ARG   1  -7.503 -12.724  -4.958
   15    H    SER   2           H        SER   2  -2.205 -12.251  -0.784
   16    HA   SER   2           HA       SER   2   0.102 -10.864   0.266
   17   1HB   SER   2          2HB       SER   2  -0.238 -13.080  -1.357
   18   2HB   SER   2          1HB       SER   2   0.269 -11.827  -2.515
   19    HG   SER   2           HG       SER   2   1.975 -11.410  -0.675
   20    H    LYS   3           H        LYS   3  -2.694 -10.392  -1.765
   21    HA   LYS   3           HA       LYS   3  -1.566  -8.385  -3.436
   22   1HB   LYS   3          2HB       LYS   3  -4.366  -9.277  -2.813
   23   2HB   LYS   3          1HB       LYS   3  -4.021  -7.956  -3.949
   24   1HG   LYS   3          2HG       LYS   3  -2.482  -9.549  -5.169
   25   2HG   LYS   3          1HG       LYS   3  -3.136 -10.867  -4.172
   26   1HD   LYS   3          2HD       LYS   3  -4.443 -10.957  -6.105
   27   2HD   LYS   3          1HD       LYS   3  -5.475 -10.040  -4.985
   28   1HE   LYS   3          2HE       LYS   3  -4.025  -8.027  -6.116
   29   2HE   LYS   3          1HE       LYS   3  -4.118  -9.149  -7.490
   30   1HZ   LYS   3          1HZ       LYS   3  -6.204  -8.411  -7.791
   31   2HZ   LYS   3          2HZ       LYS   3  -6.654  -9.052  -6.363
   32    H    ASP   4           H        ASP   4  -2.724  -8.540  -0.149
   33    HA   ASP   4           HA       ASP   4  -3.556  -5.877   0.046
   34   1HB   ASP   4          2HB       ASP   4  -3.448  -8.166   1.704
   35   2HB   ASP   4          1HB       ASP   4  -2.444  -6.937   2.534
   36    HD2  ASP   4           HD2      ASP   4  -5.391  -5.843   3.914
   37    H    LEU   5           H        LEU   5  -0.458  -7.513  -0.086
   38    HA   LEU   5           HA       LEU   5   1.087  -5.750   1.444
   39   1HB   LEU   5          2HB       LEU   5   1.399  -8.073   0.018
   40   2HB   LEU   5          1HB       LEU   5   2.494  -6.917  -0.804
   41    HG   LEU   5           HG       LEU   5   3.160  -6.452   1.766
   42   1HD1  LEU   5          1HD1      LEU   5   2.733  -8.081   3.229
   43   2HD1  LEU   5          2HD1      LEU   5   1.510  -8.644   2.066
   44   3HD1  LEU   5          3HD1      LEU   5   3.140  -9.361   2.062
   45   1HD2  LEU   5          1HD2      LEU   5   4.433  -8.800   0.389
   46   2HD2  LEU   5          2HD2      LEU   5   4.522  -7.174  -0.330
   47   3HD2  LEU   5          3HD2      LEU   5   5.185  -7.466   1.296
   48    H    ARG   6           H        ARG   6  -0.261  -5.594  -1.833
   49    HA   ARG   6           HA       ARG   6   1.457  -3.517  -2.650
   50   1HB   ARG   6          2HB       ARG   6  -0.400  -5.225  -3.888
   51   2HB   ARG   6          1HB       ARG   6  -1.145  -3.619  -4.036
   52   1HG   ARG   6          2HG       ARG   6   0.195  -3.523  -5.903
   53   2HG   ARG   6          1HG       ARG   6   1.449  -3.064  -4.729
   54   1HD   ARG   6          2HD       ARG   6   1.247  -5.941  -4.799
   55   2HD   ARG   6          1HD       ARG   6   1.334  -5.351  -6.470
   56    HE   ARG   6           HE       ARG   6   3.524  -4.579  -6.035
   57   1HH1  ARG   6          2HH2      ARG   6   1.983  -5.603  -3.014
   58   2HH1  ARG   6          1HH2      ARG   6   3.453  -5.546  -2.100
   59   1HH2  ARG   6          2HH1      ARG   6   5.439  -4.501  -4.863
   60   2HH2  ARG   6          1HH1      ARG   6   5.443  -4.919  -3.129
   61    H    HIS   7           H        HIS   7  -1.414  -3.749  -0.681
   62    HA   HIS   7           HA       HIS   7  -2.374  -1.125  -1.215
   63   1HB   HIS   7          2HB       HIS   7  -2.968  -3.288   0.741
   64   2HB   HIS   7          1HB       HIS   7  -3.670  -1.664   0.988
   65    HD1  HIS   7           1HD      HIS   7  -5.934  -1.406  -0.012
   66    HD2  HIS   7           2HD      HIS   7  -3.622  -4.227  -2.084
   67    HE1  HIS   7           1HE      HIS   7  -7.424  -2.329  -1.867
   68    H    ALA   8           H        ALA   8   0.145  -2.548   0.741
   69    HA   ALA   8           HA       ALA   8   0.219  -0.585   2.767
   70   1HB   ALA   8          1HB       ALA   8   1.814  -1.959   3.574
   71   2HB   ALA   8          2HB       ALA   8   1.470  -3.015   2.182
   72   3HB   ALA   8          3HB       ALA   8   2.786  -1.821   2.089
   73    H    PHE   9           H        PHE   9   1.400  -0.784  -0.576
   74    HA   PHE   9           HA       PHE   9   3.321   1.247  -0.391
   75   1HB   PHE   9          2HB       PHE   9   1.742  -0.303  -2.363
   76   2HB   PHE   9          1HB       PHE   9   2.251   1.290  -2.990
   77    HD1  PHE   9           1HD      PHE   9   3.777  -1.533  -1.063
   78    HD2  PHE   9           2HD      PHE   9   4.192   1.278  -4.214
   79    HE1  PHE   9           1HE      PHE   9   6.043  -2.470  -1.600
   80    HE2  PHE   9           2HE      PHE   9   6.457   0.342  -4.752
   81    HZ   PHE   9           HZ       PHE   9   7.356  -1.521  -3.439
   82    H    ARG  10           H        ARG  10  -0.195   1.287  -0.480
   83    HA   ARG  10           HA       ARG  10  -0.439   3.847  -1.584
   84   1HB   ARG  10          2HB       ARG  10  -2.179   1.774  -0.491
   85   2HB   ARG  10          1HB       ARG  10  -2.687   3.371   0.101
   86   1HG   ARG  10          2HG       ARG  10  -2.033   3.497  -2.732
   87   2HG   ARG  10          1HG       ARG  10  -3.183   2.176  -2.436
   88   1HD   ARG  10          2HD       ARG  10  -4.865   3.660  -2.004
   89   2HD   ARG  10          1HD       ARG  10  -3.827   4.660  -0.965
   90    HE   ARG  10           HE       ARG  10  -3.312   5.991  -2.844
   91   1HH1  ARG  10          2HH2      ARG  10  -5.037   3.075  -3.879
   92   2HH1  ARG  10          1HH2      ARG  10  -5.288   3.647  -5.495
   93   1HH2  ARG  10          2HH1      ARG  10  -3.631   6.746  -4.937
   94   2HH2  ARG  10          1HH1      ARG  10  -4.495   5.740  -6.130
   95    H    SER  11           H        SER  11   0.402   2.597   1.584
   96    HA   SER  11           HA       SER  11  -0.453   4.873   3.026
   97   1HB   SER  11          2HB       SER  11  -0.064   2.483   3.858
   98   2HB   SER  11          1HB       SER  11   1.669   2.891   3.922
   99    HG   SER  11           HG       SER  11   0.547   3.232   5.976
  100    H    MET  12           H        MET  12   2.176   4.173   0.910
  101    HA   MET  12           HA       MET  12   3.995   5.961   2.229
  102   1HB   MET  12          2HB       MET  12   4.058   3.864   0.236
  103   2HB   MET  12          1HB       MET  12   4.855   5.303  -0.441
  104   1HG   MET  12          2HG       MET  12   6.691   4.700   0.695
  105   2HG   MET  12          1HG       MET  12   5.843   5.142   2.190
  106   1HE   MET  12          1HE       MET  12   7.597   1.443   0.984
  107   2HE   MET  12          2HE       MET  12   8.006   3.175   0.970
  108   3HE   MET  12          3HE       MET  12   8.038   2.265   2.499
  109    H    PHE  13           H        PHE  13   1.357   6.187   0.045
  110    HA   PHE  13           HA       PHE  13   2.284   8.189  -1.679
  111   1HB   PHE  13          2HB       PHE  13  -0.023   6.661  -1.060
  112   2HB   PHE  13          1HB       PHE  13  -0.563   8.359  -0.932
  113    HD1  PHE  13           1HD      PHE  13  -0.269   9.859  -2.922
  114    HD2  PHE  13           2HD      PHE  13   0.278   5.658  -3.161
  115    HE1  PHE  13           1HE      PHE  13  -0.509   9.970  -5.418
  116    HE2  PHE  13           2HE      PHE  13   0.040   5.769  -5.658
  117    HZ   PHE  13           HZ       PHE  13  -0.352   7.924  -6.756
  118    HA   PRO  14           HA       PRO  14   0.414  11.152   1.510
  119   1HB   PRO  14          2HB       PRO  14  -0.297  10.229   3.974
  120   2HB   PRO  14          1HB       PRO  14  -1.447  10.423   2.653
  121   1HG   PRO  14          2HG       PRO  14  -0.254   7.962   3.745
  122   2HG   PRO  14          1HG       PRO  14  -1.692   8.131   2.733
  123   1HD   PRO  14          2HD       PRO  14   0.948   7.290   1.924
  124   2HD   PRO  14          1HD       PRO  14  -0.490   7.527   0.869
  125    H    SER  15           H        SER  15   2.584   8.692   2.485
  126    HA   SER  15           HA       SER  15   3.849  10.434   4.373
  127   1HB   SER  15          2HB       SER  15   3.666   7.998   4.725
  128   2HB   SER  15          1HB       SER  15   4.720   7.705   3.321
  129    HG   SER  15           HG       SER  15   6.419   8.050   4.565
  130    H    SER  16           H        SER  16   4.058   9.566   0.973
  131    HA   SER  16           HA       SER  16   6.771  10.300   0.672
  132   1HB   SER  16          2HB       SER  16   6.156  10.300  -1.781
  133   2HB   SER  16          1HB       SER  16   5.874   8.762  -0.930
  134    HG   SER  16           HG       SER  16   3.749  10.669  -1.107
  135    H    GLU  17           H        GLU  17   3.715  11.985   0.895
  136    HA   GLU  17           HA       GLU  17   4.517  14.236  -0.618
  137   1HB   GLU  17          2HB       GLU  17   2.140  13.634  -0.333
  138   2HB   GLU  17          1HB       GLU  17   2.271  13.905   1.420
  139   1HG   GLU  17          2HG       GLU  17   2.771  16.288   0.999
  140   2HG   GLU  17          1HG       GLU  17   2.745  15.999  -0.755
  141    HE2  GLU  17           HE2      GLU  17  -0.536  17.161   0.659
  Start of MODEL   12
    1   1H    ARG   1          1H        ARG   1  -5.314 -12.480   3.403
    2   2H    ARG   1          2H        ARG   1  -4.639 -13.440   2.198
    3    HA   ARG   1           HA       ARG   1  -4.922 -11.685   1.021
    4   1HB   ARG   1          2HB       ARG   1  -4.267  -9.801   3.330
    5   2HB   ARG   1          1HB       ARG   1  -5.157  -9.430   1.836
    6   1HG   ARG   1          2HG       ARG   1  -6.082 -11.332   4.042
    7   2HG   ARG   1          1HG       ARG   1  -6.634  -9.654   3.846
    8   1HD   ARG   1          2HD       ARG   1  -6.853 -11.539   1.501
    9   2HD   ARG   1          1HD       ARG   1  -7.996 -11.736   2.844
   10    HE   ARG   1           HE       ARG   1  -8.940  -9.627   2.296
   11   1HH1  ARG   1          2HH2      ARG   1  -6.066 -10.258   0.322
   12   2HH1  ARG   1          1HH2      ARG   1  -6.392  -8.968  -0.787
   13   1HH2  ARG   1          2HH1      ARG   1  -9.376  -7.950   0.865
   14   2HH2  ARG   1          1HH1      ARG   1  -8.275  -7.632  -0.503
   15    H    SER   2           H        SER   2  -3.018 -12.293  -0.115
   16    HA   SER   2           HA       SER   2  -0.490 -11.519   0.989
   17   1HB   SER   2          2HB       SER   2   0.393 -13.038  -0.401
   18   2HB   SER   2          1HB       SER   2  -1.280 -13.614  -0.591
   19    HG   SER   2           HG       SER   2  -0.007 -13.169  -2.625
   20    H    LYS   3           H        LYS   3  -2.924 -10.288  -1.205
   21    HA   LYS   3           HA       LYS   3  -1.075  -8.552  -2.587
   22   1HB   LYS   3          2HB       LYS   3  -4.041  -9.011  -2.707
   23   2HB   LYS   3          1HB       LYS   3  -3.247  -7.718  -3.635
   24   1HG   LYS   3          2HG       LYS   3  -2.370  -9.152  -5.125
   25   2HG   LYS   3          1HG       LYS   3  -1.908 -10.345  -3.890
   26   1HD   LYS   3          2HD       LYS   3  -4.398 -10.910  -3.733
   27   2HD   LYS   3          1HD       LYS   3  -4.615  -9.998  -5.243
   28   1HE   LYS   3          2HE       LYS   3  -2.752 -11.461  -6.211
   29   2HE   LYS   3          1HE       LYS   3  -2.959 -12.518  -4.798
   30   1HZ   LYS   3          1HZ       LYS   3  -5.291 -11.777  -6.447
   31   2HZ   LYS   3          2HZ       LYS   3  -4.337 -13.013  -6.909
   32    H    ASP   4           H        ASP   4  -1.989  -8.602   0.502
   33    HA   ASP   4           HA       ASP   4  -3.055  -5.984   0.752
   34   1HB   ASP   4          2HB       ASP   4  -2.792  -8.285   2.385
   35   2HB   ASP   4          1HB       ASP   4  -1.818  -7.017   3.187
   36    HD2  ASP   4           HD2      ASP   4  -5.810  -6.746   3.040
   37    H    LEU   5           H        LEU   5   0.087  -7.505   0.468
   38    HA   LEU   5           HA       LEU   5   1.634  -5.710   1.962
   39   1HB   LEU   5          2HB       LEU   5   1.977  -7.854   0.065
   40   2HB   LEU   5          1HB       LEU   5   3.262  -6.613  -0.068
   41    HG   LEU   5           HG       LEU   5   3.318  -6.949   2.570
   42   1HD1  LEU   5          1HD1      LEU   5   2.865  -9.156   3.315
   43   2HD1  LEU   5          2HD1      LEU   5   1.411  -8.596   2.455
   44   3HD1  LEU   5          3HD1      LEU   5   2.535  -9.725   1.661
   45   1HD2  LEU   5          1HD2      LEU   5   5.344  -7.883   2.240
   46   2HD2  LEU   5          2HD2      LEU   5   4.711  -9.152   1.164
   47   3HD2  LEU   5          3HD2      LEU   5   4.997  -7.511   0.534
   48    H    ARG   6           H        ARG   6   0.146  -5.558  -1.257
   49    HA   ARG   6           HA       ARG   6   1.756  -3.412  -2.112
   50   1HB   ARG   6          2HB       ARG   6  -0.673  -4.871  -3.103
   51   2HB   ARG   6          1HB       ARG   6  -0.423  -3.229  -3.734
   52   1HG   ARG   6          2HG       ARG   6   0.853  -4.377  -5.269
   53   2HG   ARG   6          1HG       ARG   6   2.093  -4.260  -4.000
   54   1HD   ARG   6          2HD       ARG   6   0.305  -6.551  -3.585
   55   2HD   ARG   6          1HD       ARG   6   1.068  -6.603  -5.186
   56    HE   ARG   6           HE       ARG   6   2.897  -5.981  -2.978
   57   1HH1  ARG   6          2HH2      ARG   6   1.408  -8.584  -4.865
   58   2HH1  ARG   6          1HH2      ARG   6   2.643  -9.736  -4.482
   59   1HH2  ARG   6          2HH1      ARG   6   4.506  -7.466  -2.470
   60   2HH2  ARG   6          1HH1      ARG   6   4.427  -9.126  -3.117
   61    H    HIS   7           H        HIS   7  -1.021  -3.772  -0.032
   62    HA   HIS   7           HA       HIS   7  -2.094  -1.176  -0.490
   63   1HB   HIS   7          2HB       HIS   7  -2.539  -3.404   1.427
   64   2HB   HIS   7          1HB       HIS   7  -3.253  -1.807   1.784
   65    HD1  HIS   7           1HD      HIS   7  -4.216  -0.947  -0.989
   66    HD2  HIS   7           2HD      HIS   7  -4.695  -4.833   0.515
   67    HE1  HIS   7           1HE      HIS   7  -6.162  -1.977  -2.278
   68    H    ALA   8           H        ALA   8   0.553  -2.534   1.344
   69    HA   ALA   8           HA       ALA   8   0.640  -0.596   3.392
   70   1HB   ALA   8          1HB       ALA   8   3.230  -1.494   3.058
   71   2HB   ALA   8          2HB       ALA   8   1.979  -2.310   4.025
   72   3HB   ALA   8          3HB       ALA   8   2.277  -2.819   2.345
   73    H    PHE   9           H        PHE   9   1.689  -0.710   0.001
   74    HA   PHE   9           HA       PHE   9   3.542   1.386   0.135
   75   1HB   PHE   9          2HB       PHE   9   1.941  -0.194  -1.792
   76   2HB   PHE   9          1HB       PHE   9   2.372   1.421  -2.417
   77    HD1  PHE   9           1HD      PHE   9   4.949   2.025  -1.977
   78    HD2  PHE   9           2HD      PHE   9   3.379  -1.902  -2.328
   79    HE1  PHE   9           1HE      PHE   9   7.222   1.172  -2.615
   80    HE2  PHE   9           2HE      PHE   9   5.653  -2.755  -2.965
   81    HZ   PHE   9           HZ       PHE   9   7.547  -1.207  -3.101
   82    H    ARG  10           H        ARG  10   0.027   1.299   0.184
   83    HA   ARG  10           HA       ARG  10  -0.352   3.862  -0.874
   84   1HB   ARG  10          2HB       ARG  10  -2.096   1.991  -0.645
   85   2HB   ARG  10          1HB       ARG  10  -2.196   2.407   1.080
   86   1HG   ARG  10          2HG       ARG  10  -3.357   4.348   0.634
   87   2HG   ARG  10          1HG       ARG  10  -2.449   4.668  -0.861
   88   1HD   ARG  10          2HD       ARG  10  -3.796   2.985  -2.044
   89   2HD   ARG  10          1HD       ARG  10  -4.599   2.520  -0.531
   90    HE   ARG  10           HE       ARG  10  -5.185   4.816  -2.223
   91   1HH1  ARG  10          2HH2      ARG  10  -5.320   3.641   1.117
   92   2HH1  ARG  10          1HH2      ARG  10  -6.601   4.713   1.574
   93   1HH2  ARG  10          2HH1      ARG  10  -6.846   6.217  -1.643
   94   2HH2  ARG  10          1HH1      ARG  10  -7.494   6.195   0.019
   95    H    SER  11           H        SER  11   0.655   2.605   2.241
   96    HA   SER  11           HA       SER  11  -0.224   4.830   3.747
   97   1HB   SER  11          2HB       SER  11   0.498   2.335   4.376
   98   2HB   SER  11          1HB       SER  11   2.056   3.131   4.705
   99    HG   SER  11           HG       SER  11  -0.145   4.507   5.747
  100    H    MET  12           H        MET  12   2.344   4.252   1.522
  101    HA   MET  12           HA       MET  12   4.149   6.088   2.794
  102   1HB   MET  12          2HB       MET  12   4.271   3.968   0.897
  103   2HB   MET  12          1HB       MET  12   4.814   5.419   0.024
  104   1HG   MET  12          2HG       MET  12   6.795   4.600   0.950
  105   2HG   MET  12          1HG       MET  12   6.323   5.839   2.127
  106   1HE   MET  12          1HE       MET  12   8.111   2.643   3.483
  107   2HE   MET  12          2HE       MET  12   8.287   4.292   2.834
  108   3HE   MET  12          3HE       MET  12   7.776   4.049   4.522
  109    H    PHE  13           H        PHE  13   1.420   6.246   0.716
  110    HA   PHE  13           HA       PHE  13   2.209   8.301  -1.014
  111   1HB   PHE  13          2HB       PHE  13  -0.018   6.684  -0.325
  112   2HB   PHE  13          1HB       PHE  13  -0.611   8.359  -0.154
  113    HD1  PHE  13           1HD      PHE  13  -0.490   9.886  -2.129
  114    HD2  PHE  13           2HD      PHE  13   0.279   5.726  -2.458
  115    HE1  PHE  13           1HE      PHE  13  -0.830  10.020  -4.612
  116    HE2  PHE  13           2HE      PHE  13  -0.061   5.859  -4.942
  117    HZ   PHE  13           HZ       PHE  13  -0.611   8.005  -5.988
  118    HA   PRO  14           HA       PRO  14   0.360  11.154   2.286
  119   1HB   PRO  14          2HB       PRO  14  -0.219  10.175   4.762
  120   2HB   PRO  14          1HB       PRO  14  -1.429  10.344   3.490
  121   1HG   PRO  14          2HG       PRO  14  -0.106   7.916   4.501
  122   2HG   PRO  14          1HG       PRO  14  -1.589   8.045   3.546
  123   1HD   PRO  14          2HD       PRO  14   1.045   7.309   2.628
  124   2HD   PRO  14          1HD       PRO  14  -0.439   7.507   1.629
  125    H    SER  15           H        SER  15   2.652   8.763   3.142
  126    HA   SER  15           HA       SER  15   3.927  10.525   5.005
  127   1HB   SER  15          2HB       SER  15   3.791   7.995   5.172
  128   2HB   SER  15          1HB       SER  15   5.023   7.914   3.890
  129    HG   SER  15           HG       SER  15   6.543   8.815   5.234
  130    H    SER  16           H        SER  16   4.034   9.708   1.588
  131    HA   SER  16           HA       SER  16   6.705  10.595   1.218
  132   1HB   SER  16          2HB       SER  16   5.865   8.955  -0.274
  133   2HB   SER  16          1HB       SER  16   4.431   9.926  -0.691
  134    HG   SER  16           HG       SER  16   5.579  11.068  -2.115
  135    H    GLU  17           H        GLU  17   3.547  12.055   1.496
  136    HA   GLU  17           HA       GLU  17   4.418  14.424   0.087
  137   1HB   GLU  17          2HB       GLU  17   2.054  13.304  -0.080
  138   2HB   GLU  17          1HB       GLU  17   1.739  14.126   1.464
  139   1HG   GLU  17          2HG       GLU  17   1.568  16.153   0.426
  140   2HG   GLU  17          1HG       GLU  17   2.990  15.846  -0.598
  141    HE2  GLU  17           HE2      GLU  17   1.008  14.702  -3.224
  Start of MODEL   13
    1   1H    ARG   1          1H        ARG   1  -4.328 -12.858   2.589
    2   2H    ARG   1          2H        ARG   1  -4.419 -14.351   1.821
    3    HA   ARG   1           HA       ARG   1  -3.523 -13.657  -0.057
    4   1HB   ARG   1          2HB       ARG   1  -5.560 -11.884   1.153
    5   2HB   ARG   1          1HB       ARG   1  -4.679 -11.114  -0.184
    6   1HG   ARG   1          2HG       ARG   1  -5.571 -13.927  -0.638
    7   2HG   ARG   1          1HG       ARG   1  -6.871 -12.722  -0.485
    8   1HD   ARG   1          2HD       ARG   1  -4.550 -11.994  -2.234
    9   2HD   ARG   1          1HD       ARG   1  -5.593 -13.304  -2.821
   10    HE   ARG   1           HE       ARG   1  -7.000 -10.901  -1.870
   11   1HH1  ARG   1          2HH2      ARG   1  -5.555 -12.531  -4.665
   12   2HH1  ARG   1          1HH2      ARG   1  -6.470 -11.625  -5.824
   13   1HH2  ARG   1          2HH1      ARG   1  -8.192  -9.715  -3.363
   14   2HH2  ARG   1          1HH1      ARG   1  -7.983 -10.009  -5.110
   15    H    SER   2           H        SER   2  -1.672 -12.784  -0.970
   16    HA   SER   2           HA       SER   2  -0.196 -10.943   0.668
   17   1HB   SER   2          2HB       SER   2   0.392 -13.002  -1.204
   18   2HB   SER   2          1HB       SER   2   1.129 -11.507  -1.829
   19    HG   SER   2           HG       SER   2   2.590 -11.553  -0.258
   20    H    LYS   3           H        LYS   3  -2.732 -10.416  -1.196
   21    HA   LYS   3           HA       LYS   3  -1.649  -8.507  -3.060
   22   1HB   LYS   3          2HB       LYS   3  -3.640 -10.054  -3.396
   23   2HB   LYS   3          1HB       LYS   3  -4.564  -8.915  -2.389
   24   1HG   LYS   3          2HG       LYS   3  -4.585  -7.306  -3.981
   25   2HG   LYS   3          1HG       LYS   3  -2.938  -7.662  -4.548
   26   1HD   LYS   3          2HD       LYS   3  -3.726  -9.602  -5.771
   27   2HD   LYS   3          1HD       LYS   3  -5.382  -9.392  -5.155
   28   1HE   LYS   3          2HE       LYS   3  -4.920  -6.927  -6.216
   29   2HE   LYS   3          1HE       LYS   3  -3.952  -7.918  -7.325
   30   1HZ   LYS   3          1HZ       LYS   3  -5.826  -8.740  -8.238
   31   2HZ   LYS   3          2HZ       LYS   3  -6.520  -9.070  -6.802
   32    H    ASP   4           H        ASP   4  -2.681  -8.606   0.266
   33    HA   ASP   4           HA       ASP   4  -3.535  -5.942   0.428
   34   1HB   ASP   4          2HB       ASP   4  -3.127  -8.216   2.199
   35   2HB   ASP   4          1HB       ASP   4  -2.488  -6.727   2.953
   36    HD2  ASP   4           HD2      ASP   4  -6.270  -7.497   3.157
   37    H    LEU   5           H        LEU   5  -0.437  -7.570   0.244
   38    HA   LEU   5           HA       LEU   5   1.142  -5.776   1.703
   39   1HB   LEU   5          2HB       LEU   5   1.590  -8.105   0.831
   40   2HB   LEU   5          1HB       LEU   5   2.092  -7.314  -0.696
   41    HG   LEU   5           HG       LEU   5   3.343  -6.206   1.724
   42   1HD1  LEU   5          1HD1      LEU   5   3.317  -9.099   1.339
   43   2HD1  LEU   5          2HD1      LEU   5   4.961  -8.420   1.351
   44   3HD1  LEU   5          3HD1      LEU   5   3.867  -8.127   2.724
   45   1HD2  LEU   5          1HD2      LEU   5   5.326  -6.986  -0.018
   46   2HD2  LEU   5          2HD2      LEU   5   3.949  -6.679  -1.104
   47   3HD2  LEU   5          3HD2      LEU   5   4.513  -5.402  -0.001
   48    H    ARG   6           H        ARG   6  -0.292  -5.679  -1.541
   49    HA   ARG   6           HA       ARG   6   1.396  -3.609  -2.437
   50   1HB   ARG   6          2HB       ARG   6  -1.070  -5.017  -3.421
   51   2HB   ARG   6          1HB       ARG   6  -0.747  -3.408  -4.100
   52   1HG   ARG   6          2HG       ARG   6   0.678  -4.449  -5.526
   53   2HG   ARG   6          1HG       ARG   6   1.738  -4.757  -4.131
   54   1HD   ARG   6          2HD       ARG   6  -0.161  -6.766  -3.901
   55   2HD   ARG   6          1HD       ARG   6  -0.025  -6.589  -5.660
   56    HE   ARG   6           HE       ARG   6   2.602  -6.631  -4.685
   57   1HH1  ARG   6          2HH2      ARG   6  -0.182  -8.820  -4.563
   58   2HH1  ARG   6          1HH2      ARG   6   0.791 -10.251  -4.469
   59   1HH2  ARG   6          2HH1      ARG   6   3.876  -8.480  -4.565
   60   2HH2  ARG   6          1HH1      ARG   6   3.111 -10.089  -4.468
   61    H    HIS   7           H        HIS   7  -1.422  -3.820  -0.389
   62    HA   HIS   7           HA       HIS   7  -2.408  -1.209  -0.941
   63   1HB   HIS   7          2HB       HIS   7  -3.255  -3.508   0.378
   64   2HB   HIS   7          1HB       HIS   7  -3.199  -2.243   1.638
   65    HD1  HIS   7           1HD      HIS   7  -4.418  -2.281  -2.013
   66    HD2  HIS   7           2HD      HIS   7  -5.664  -1.109   1.817
   67    HE1  HIS   7           1HE      HIS   7  -6.722  -1.224  -2.303
   68    H    ALA   8           H        ALA   8   0.170  -2.588   0.971
   69    HA   ALA   8           HA       ALA   8   0.287  -0.590   2.960
   70   1HB   ALA   8          1HB       ALA   8   2.853  -1.795   2.282
   71   2HB   ALA   8          2HB       ALA   8   1.867  -1.983   3.752
   72   3HB   ALA   8          3HB       ALA   8   1.563  -3.020   2.338
   73    H    PHE   9           H        PHE   9   1.380  -0.843  -0.409
   74    HA   PHE   9           HA       PHE   9   3.295   1.201  -0.307
   75   1HB   PHE   9          2HB       PHE   9   1.681  -0.394  -2.212
   76   2HB   PHE   9          1HB       PHE   9   2.177   1.185  -2.882
   77    HD1  PHE   9           1HD      PHE   9   4.741   1.731  -2.523
   78    HD2  PHE   9           2HD      PHE   9   3.095  -2.180  -2.547
   79    HE1  PHE   9           1HE      PHE   9   6.997   0.785  -3.084
   80    HE2  PHE   9           2HE      PHE   9   5.351  -3.126  -3.107
   81    HZ   PHE   9           HZ       PHE   9   7.276  -1.633  -3.370
   82    H    ARG  10           H        ARG  10  -0.224   1.213  -0.330
   83    HA   ARG  10           HA       ARG  10  -0.506   3.751  -1.476
   84   1HB   ARG  10          2HB       ARG  10  -2.215   1.698  -0.259
   85   2HB   ARG  10          1HB       ARG  10  -2.735   3.331   0.215
   86   1HG   ARG  10          2HG       ARG  10  -2.127   2.582  -2.673
   87   2HG   ARG  10          1HG       ARG  10  -3.725   2.300  -1.950
   88   1HD   ARG  10          2HD       ARG  10  -2.905   4.989  -1.322
   89   2HD   ARG  10          1HD       ARG  10  -2.619   4.723  -3.053
   90    HE   ARG  10           HE       ARG  10  -5.229   3.812  -2.031
   91   1HH1  ARG  10          2HH2      ARG  10  -3.427   6.469  -3.529
   92   2HH1  ARG  10          1HH2      ARG  10  -4.844   7.241  -4.157
   93   1HH2  ARG  10          2HH1      ARG  10  -7.077   4.802  -2.839
   94   2HH2  ARG  10          1HH1      ARG  10  -6.944   6.313  -3.779
   95    H    SER  11           H        SER  11   0.398   2.565   1.699
   96    HA   SER  11           HA       SER  11  -0.450   4.861   3.114
   97   1HB   SER  11          2HB       SER  11  -0.262   2.823   4.303
   98   2HB   SER  11          1HB       SER  11   1.417   2.553   3.778
   99    HG   SER  11           HG       SER  11   2.159   4.019   5.230
  100    H    MET  12           H        MET  12   2.149   4.140   0.967
  101    HA   MET  12           HA       MET  12   3.976   5.965   2.222
  102   1HB   MET  12          2HB       MET  12   4.051   3.804   0.335
  103   2HB   MET  12          1HB       MET  12   4.737   5.226  -0.483
  104   1HG   MET  12          2HG       MET  12   6.403   5.514   1.191
  105   2HG   MET  12          1HG       MET  12   5.623   4.373   2.305
  106   1HE   MET  12          1HE       MET  12   8.163   3.904   2.370
  107   2HE   MET  12          2HE       MET  12   8.858   2.536   1.467
  108   3HE   MET  12          3HE       MET  12   8.954   4.184   0.800
  109    H    PHE  13           H        PHE  13   1.300   6.133   0.079
  110    HA   PHE  13           HA       PHE  13   2.184   8.108  -1.697
  111   1HB   PHE  13          2HB       PHE  13  -0.101   6.575  -1.010
  112   2HB   PHE  13          1HB       PHE  13  -0.652   8.272  -0.905
  113    HD1  PHE  13           1HD      PHE  13   1.364   6.128  -3.217
  114    HD2  PHE  13           2HD      PHE  13  -1.594   9.142  -2.808
  115    HE1  PHE  13           1HE      PHE  13   1.083   6.190  -5.710
  116    HE2  PHE  13           2HE      PHE  13  -1.876   9.205  -5.301
  117    HZ   PHE  13           HZ       PHE  13  -0.534   7.729  -6.723
  118    HA   PRO  14           HA       PRO  14   0.346  11.117   1.468
  119   1HB   PRO  14          2HB       PRO  14  -0.317  10.234   3.960
  120   2HB   PRO  14          1HB       PRO  14  -1.491  10.396   2.655
  121   1HG   PRO  14          2HG       PRO  14  -0.261   7.965   3.773
  122   2HG   PRO  14          1HG       PRO  14  -1.718   8.105   2.782
  123   1HD   PRO  14          2HD       PRO  14   0.914   7.268   1.947
  124   2HD   PRO  14          1HD       PRO  14  -0.542   7.474   0.909
  125    H    SER  15           H        SER  15   2.549   8.691   2.452
  126    HA   SER  15           HA       SER  15   3.834  10.476   4.286
  127   1HB   SER  15          2HB       SER  15   3.705   7.700   3.893
  128   2HB   SER  15          1HB       SER  15   5.405   8.123   3.572
  129    HG   SER  15           HG       SER  15   3.861   8.581   5.969
  130    H    SER  16           H        SER  16   3.992   9.547   0.899
  131    HA   SER  16           HA       SER  16   6.676  10.145   0.458
  132   1HB   SER  16          2HB       SER  16   5.539   8.857  -1.148
  133   2HB   SER  16          1HB       SER  16   4.229  10.048  -1.341
  134    HG   SER  16           HG       SER  16   5.870  10.014  -3.100
  135    H    GLU  17           H        GLU  17   3.995  12.125   1.285
  136    HA   GLU  17           HA       GLU  17   4.908  14.409  -0.179
  137   1HB   GLU  17          2HB       GLU  17   2.465  13.600   0.965
  138   2HB   GLU  17          1HB       GLU  17   2.985  14.989   1.946
  139   1HG   GLU  17          2HG       GLU  17   3.295  15.282  -1.008
  140   2HG   GLU  17          1HG       GLU  17   1.621  15.165  -0.425
  141    HE2  GLU  17           HE2      GLU  17   1.998  18.595   0.036
  Start of MODEL   14
    1   1H    ARG   1          1H        ARG   1  -4.400 -13.719   0.191
    2   2H    ARG   1          2H        ARG   1  -3.245 -13.992  -1.000
    3    HA   ARG   1           HA       ARG   1  -4.273 -12.027  -1.450
    4   1HB   ARG   1          2HB       ARG   1  -3.990 -10.097   0.293
    5   2HB   ARG   1          1HB       ARG   1  -5.224 -11.331   0.630
    6   1HG   ARG   1          2HG       ARG   1  -4.061 -12.117   2.450
    7   2HG   ARG   1          1HG       ARG   1  -2.483 -11.908   1.657
    8   1HD   ARG   1          2HD       ARG   1  -2.467 -10.308   3.405
    9   2HD   ARG   1          1HD       ARG   1  -2.962  -9.342   2.001
   10    HE   ARG   1           HE       ARG   1  -5.146  -9.203   2.923
   11   1HH1  ARG   1          2HH2      ARG   1  -3.120 -11.382   4.846
   12   2HH1  ARG   1          1HH2      ARG   1  -4.229 -11.441   6.175
   13   1HH2  ARG   1          2HH1      ARG   1  -6.594  -9.270   4.638
   14   2HH2  ARG   1          1HH1      ARG   1  -6.222 -10.243   6.086
   15    H    SER   2           H        SER   2  -2.321 -12.460  -2.816
   16    HA   SER   2           HA       SER   2   0.100 -11.230  -1.837
   17   1HB   SER   2          2HB       SER   2  -0.427 -12.663  -4.451
   18   2HB   SER   2          1HB       SER   2   1.175 -12.259  -3.786
   19    HG   SER   2           HG       SER   2   0.186 -13.627  -1.849
   20    H    LYS   3           H        LYS   3  -2.719 -10.431  -3.614
   21    HA   LYS   3           HA       LYS   3  -1.406  -8.570  -5.388
   22   1HB   LYS   3          2HB       LYS   3  -3.462 -10.009  -5.866
   23   2HB   LYS   3          1HB       LYS   3  -4.378  -8.801  -4.939
   24   1HG   LYS   3          2HG       LYS   3  -4.169  -7.211  -6.532
   25   2HG   LYS   3          1HG       LYS   3  -2.509  -7.677  -6.969
   26   1HD   LYS   3          2HD       LYS   3  -3.281  -8.732  -8.772
   27   2HD   LYS   3          1HD       LYS   3  -4.224  -9.836  -7.747
   28   1HE   LYS   3          2HE       LYS   3  -5.418  -7.161  -8.055
   29   2HE   LYS   3          1HE       LYS   3  -5.308  -8.054  -9.586
   30   1HZ   LYS   3          1HZ       LYS   3  -7.278  -8.401  -7.770
   31   2HZ   LYS   3          2HZ       LYS   3  -6.869  -9.517  -8.883
   32    H    ASP   4           H        ASP   4  -2.749  -8.678  -2.159
   33    HA   ASP   4           HA       ASP   4  -3.506  -6.021  -1.951
   34   1HB   ASP   4          2HB       ASP   4  -3.366  -8.303  -0.282
   35   2HB   ASP   4          1HB       ASP   4  -2.366  -7.062   0.530
   36    HD2  ASP   4           HD2      ASP   4  -5.206  -5.631   1.791
   37    H    LEU   5           H        LEU   5  -0.402  -7.641  -2.114
   38    HA   LEU   5           HA       LEU   5   1.152  -5.868  -0.605
   39   1HB   LEU   5          2HB       LEU   5   1.480  -8.209  -1.888
   40   2HB   LEU   5          1HB       LEU   5   2.436  -7.110  -2.932
   41    HG   LEU   5           HG       LEU   5   2.882  -6.978   0.012
   42   1HD1  LEU   5          1HD1      LEU   5   2.971  -9.285  -0.006
   43   2HD1  LEU   5          2HD1      LEU   5   3.565  -9.361  -1.682
   44   3HD1  LEU   5          3HD1      LEU   5   4.658  -8.851  -0.372
   45   1HD2  LEU   5          1HD2      LEU   5   5.318  -7.017  -1.236
   46   2HD2  LEU   5          2HD2      LEU   5   4.278  -6.284  -2.481
   47   3HD2  LEU   5          3HD2      LEU   5   4.375  -5.555  -0.860
   48    H    ARG   6           H        ARG   6  -0.235  -5.723  -3.868
   49    HA   ARG   6           HA       ARG   6   1.463  -3.638  -4.706
   50   1HB   ARG   6          2HB       ARG   6   0.050  -5.321  -6.137
   51   2HB   ARG   6          1HB       ARG   6  -1.296  -4.193  -5.862
   52   1HG   ARG   6          2HG       ARG   6  -0.506  -2.957  -7.590
   53   2HG   ARG   6          1HG       ARG   6   0.971  -2.639  -6.654
   54   1HD   ARG   6          2HD       ARG   6   2.126  -4.415  -7.716
   55   2HD   ARG   6          1HD       ARG   6   0.626  -5.235  -8.188
   56    HE   ARG   6           HE       ARG   6   0.992  -2.581  -9.382
   57   1HH1  ARG   6          2HH2      ARG   6   1.676  -6.039  -9.741
   58   2HH1  ARG   6          1HH2      ARG   6   1.911  -5.943 -11.454
   59   1HH2  ARG   6          2HH1      ARG   6   1.292  -2.440 -11.605
   60   2HH2  ARG   6          1HH1      ARG   6   1.697  -3.899 -12.548
   61    H    HIS   7           H        HIS   7  -1.384  -3.884  -2.704
   62    HA   HIS   7           HA       HIS   7  -2.366  -1.266  -3.232
   63   1HB   HIS   7          2HB       HIS   7  -2.921  -3.424  -1.254
   64   2HB   HIS   7          1HB       HIS   7  -3.639  -1.804  -1.021
   65    HD1  HIS   7           1HD      HIS   7  -4.365  -1.152  -3.968
   66    HD2  HIS   7           2HD      HIS   7  -5.131  -4.833  -2.107
   67    HE1  HIS   7           1HE      HIS   7  -6.276  -2.228  -5.271
   68    H    ALA   8           H        ALA   8   0.185  -2.671  -1.301
   69    HA   ALA   8           HA       ALA   8   0.270  -0.705   0.719
   70   1HB   ALA   8          1HB       ALA   8   2.344  -1.729   1.307
   71   2HB   ALA   8          2HB       ALA   8   1.313  -3.042   0.687
   72   3HB   ALA   8          3HB       ALA   8   2.590  -2.351  -0.343
   73    H    PHE   9           H        PHE   9   1.414  -0.903  -2.637
   74    HA   PHE   9           HA       PHE   9   3.325   1.139  -2.477
   75   1HB   PHE   9          2HB       PHE   9   1.734  -0.424  -4.427
   76   2HB   PHE   9          1HB       PHE   9   2.230   1.170  -5.064
   77    HD1  PHE   9           1HD      PHE   9   4.235   1.280  -6.185
   78    HD2  PHE   9           2HD      PHE   9   3.710  -1.757  -3.268
   79    HE1  PHE   9           1HE      PHE   9   6.500   0.352  -6.742
   80    HE2  PHE   9           2HE      PHE   9   5.975  -2.684  -3.826
   81    HZ   PHE   9           HZ       PHE   9   7.343  -1.619  -5.556
   82    H    ARG  10           H        ARG  10  -0.192   1.158  -2.532
   83    HA   ARG  10           HA       ARG  10  -0.463   3.713  -3.638
   84   1HB   ARG  10          2HB       ARG  10  -2.193   1.667  -3.045
   85   2HB   ARG  10          1HB       ARG  10  -2.545   2.778  -1.702
   86   1HG   ARG  10          2HG       ARG  10  -2.428   4.419  -3.987
   87   2HG   ARG  10          1HG       ARG  10  -3.249   2.946  -4.546
   88   1HD   ARG  10          2HD       ARG  10  -4.502   3.394  -2.135
   89   2HD   ARG  10          1HD       ARG  10  -4.127   5.056  -2.632
   90    HE   ARG  10           HE       ARG  10  -5.608   4.793  -4.467
   91   1HH1  ARG  10          2HH2      ARG  10  -5.196   1.718  -2.756
   92   2HH1  ARG  10          1HH2      ARG  10  -6.528   0.952  -3.554
   93   1HH2  ARG  10          2HH1      ARG  10  -7.339   3.813  -5.513
   94   2HH2  ARG  10          1HH1      ARG  10  -7.773   2.125  -5.134
   95    H    SER  11           H        SER  11   0.415   2.476  -0.476
   96    HA   SER  11           HA       SER  11  -0.440   4.751   0.969
   97   1HB   SER  11          2HB       SER  11   0.363   2.197   1.575
   98   2HB   SER  11          1HB       SER  11   1.753   3.150   2.148
   99    HG   SER  11           HG       SER  11  -0.412   4.468   2.980
  100    H    MET  12           H        MET  12   2.173   4.062  -1.171
  101    HA   MET  12           HA       MET  12   3.994   5.863   0.126
  102   1HB   MET  12          2HB       MET  12   4.033   3.783  -1.906
  103   2HB   MET  12          1HB       MET  12   4.868   5.223  -2.528
  104   1HG   MET  12          2HG       MET  12   5.438   4.000   0.190
  105   2HG   MET  12          1HG       MET  12   6.355   3.555  -1.264
  106   1HE   MET  12          1HE       MET  12   7.412   4.720   1.462
  107   2HE   MET  12          2HE       MET  12   7.874   6.439   1.456
  108   3HE   MET  12          3HE       MET  12   6.176   5.976   1.712
  109    H    PHE  13           H        PHE  13   1.334   6.069  -2.033
  110    HA   PHE  13           HA       PHE  13   2.233   8.073  -3.769
  111   1HB   PHE  13          2HB       PHE  13  -0.058   6.533  -3.123
  112   2HB   PHE  13          1HB       PHE  13  -0.608   8.227  -2.994
  113    HD1  PHE  13           1HD      PHE  13  -0.495   9.698  -4.975
  114    HD2  PHE  13           2HD      PHE  13   0.380   5.554  -5.242
  115    HE1  PHE  13           1HE      PHE  13  -0.758   9.803  -7.469
  116    HE2  PHE  13           2HE      PHE  13   0.116   5.659  -7.736
  117    HZ   PHE  13           HZ       PHE  13  -0.450   7.782  -8.820
  118    HA   PRO  14           HA       PRO  14   0.376  11.031  -0.568
  119   1HB   PRO  14          2HB       PRO  14  -0.304  10.109   1.904
  120   2HB   PRO  14          1HB       PRO  14  -1.470  10.293   0.594
  121   1HG   PRO  14          2HG       PRO  14  -0.249   7.840   1.679
  122   2HG   PRO  14          1HG       PRO  14  -1.701   8.000   0.682
  123   1HD   PRO  14          2HD       PRO  14   0.935   7.172  -0.150
  124   2HD   PRO  14          1HD       PRO  14  -0.513   7.400  -1.194
  125    H    SER  15           H        SER  15   2.570   8.584   0.391
  126    HA   SER  15           HA       SER  15   3.843  10.338   2.263
  127   1HB   SER  15          2HB       SER  15   3.741   7.974   2.737
  128   2HB   SER  15          1HB       SER  15   4.579   7.568   1.220
  129    HG   SER  15           HG       SER  15   5.668   9.026   3.476
  130    H    SER  16           H        SER  16   4.024   9.465  -1.137
  131    HA   SER  16           HA       SER  16   6.723  10.131  -1.510
  132   1HB   SER  16          2HB       SER  16   4.383   9.435  -3.132
  133   2HB   SER  16          1HB       SER  16   5.497  10.541  -3.973
  134    HG   SER  16           HG       SER  16   7.183   8.870  -3.079
  135    H    GLU  17           H        GLU  17   3.858  11.985  -0.925
  136    HA   GLU  17           HA       GLU  17   4.857  14.292  -2.322
  137   1HB   GLU  17          2HB       GLU  17   2.287  13.370  -1.377
  138   2HB   GLU  17          1HB       GLU  17   2.615  14.978  -0.694
  139   1HG   GLU  17          2HG       GLU  17   2.804  15.945  -2.861
  140   2HG   GLU  17          1HG       GLU  17   3.053  14.367  -3.638
  141    HE2  GLU  17           HE2      GLU  17  -0.339  13.982  -4.112
  Start of MODEL   15
    1   1H    ARG   1          1H        ARG   1  -4.460 -10.232   1.257
    2   2H    ARG   1          2H        ARG   1  -4.966 -11.537   0.325
    3    HA   ARG   1           HA       ARG   1  -3.775 -12.201   2.791
    4   1HB   ARG   1          2HB       ARG   1  -3.612 -13.144  -0.094
    5   2HB   ARG   1          1HB       ARG   1  -2.449 -13.738   1.110
    6   1HG   ARG   1          2HG       ARG   1  -4.005 -15.208   1.854
    7   2HG   ARG   1          1HG       ARG   1  -5.129 -13.875   2.197
    8   1HD   ARG   1          2HD       ARG   1  -6.332 -14.310   0.293
    9   2HD   ARG   1          1HD       ARG   1  -4.872 -14.562  -0.681
   10    HE   ARG   1           HE       ARG   1  -6.520 -16.584   0.510
   11   1HH1  ARG   1          2HH2      ARG   1  -3.099 -15.839  -0.035
   12   2HH1  ARG   1          1HH2      ARG   1  -2.610 -17.502  -0.041
   13   1HH2  ARG   1          2HH1      ARG   1  -5.901 -18.744   0.505
   14   2HH2  ARG   1          1HH1      ARG   1  -4.188 -19.183   0.266
   15    H    SER   2           H        SER   2  -1.944 -12.037  -0.281
   16    HA   SER   2           HA       SER   2   0.034 -10.457   1.107
   17   1HB   SER   2          2HB       SER   2   0.041 -12.535  -0.862
   18   2HB   SER   2          1HB       SER   2   0.889 -11.127  -1.544
   19    HG   SER   2           HG       SER   2   2.551 -11.558  -0.277
   20    H    LYS   3           H        LYS   3  -2.580 -10.108  -1.112
   21    HA   LYS   3           HA       LYS   3  -1.521  -8.064  -2.745
   22   1HB   LYS   3          2HB       LYS   3  -3.746  -7.760  -3.493
   23   2HB   LYS   3          1HB       LYS   3  -3.465  -9.506  -3.319
   24   1HG   LYS   3          2HG       LYS   3  -4.414  -8.511  -0.819
   25   2HG   LYS   3          1HG       LYS   3  -5.506  -7.886  -2.075
   26   1HD   LYS   3          2HD       LYS   3  -5.779 -10.167  -2.966
   27   2HD   LYS   3          1HD       LYS   3  -4.730 -10.817  -1.688
   28   1HE   LYS   3          2HE       LYS   3  -6.295  -9.990   0.024
   29   2HE   LYS   3          1HE       LYS   3  -7.371  -9.346  -1.232
   30   1HZ   LYS   3          1HZ       LYS   3  -8.289 -11.420  -0.877
   31   2HZ   LYS   3          2HZ       LYS   3  -7.246 -11.822  -2.062
   32    H    ASP   4           H        ASP   4  -2.661  -8.207   0.558
   33    HA   ASP   4           HA       ASP   4  -3.478  -5.539   0.744
   34   1HB   ASP   4          2HB       ASP   4  -3.130  -7.843   2.485
   35   2HB   ASP   4          1HB       ASP   4  -2.493  -6.372   3.279
   36    HD2  ASP   4           HD2      ASP   4  -5.770  -6.090   4.359
   37    H    LEU   5           H        LEU   5  -0.389  -7.188   0.603
   38    HA   LEU   5           HA       LEU   5   1.172  -5.431   2.125
   39   1HB   LEU   5          2HB       LEU   5   1.502  -7.777   0.908
   40   2HB   LEU   5          1HB       LEU   5   2.409  -6.721  -0.220
   41    HG   LEU   5           HG       LEU   5   3.318  -5.944   2.275
   42   1HD1  LEU   5          1HD1      LEU   5   2.173  -7.866   3.312
   43   2HD1  LEU   5          2HD1      LEU   5   3.115  -8.968   2.279
   44   3HD1  LEU   5          3HD1      LEU   5   3.943  -7.949   3.483
   45   1HD2  LEU   5          1HD2      LEU   5   5.108  -6.083   0.964
   46   2HD2  LEU   5          2HD2      LEU   5   5.178  -7.813   1.376
   47   3HD2  LEU   5          3HD2      LEU   5   4.330  -7.283  -0.096
   48    H    ARG   6           H        ARG   6  -0.190  -5.270  -1.148
   49    HA   ARG   6           HA       ARG   6   1.533  -3.198  -1.971
   50   1HB   ARG   6          2HB       ARG   6  -0.893  -4.598  -3.036
   51   2HB   ARG   6          1HB       ARG   6  -0.602  -2.960  -3.662
   52   1HG   ARG   6          2HG       ARG   6   1.046  -3.764  -4.995
   53   2HG   ARG   6          1HG       ARG   6   1.875  -4.486  -3.600
   54   1HD   ARG   6          2HD       ARG   6   0.270  -6.443  -3.793
   55   2HD   ARG   6          1HD       ARG   6  -0.369  -5.705  -5.277
   56    HE   ARG   6           HE       ARG   6   2.344  -5.812  -5.736
   57   1HH1  ARG   6          2HH2      ARG   6   0.000  -8.247  -4.670
   58   2HH1  ARG   6          1HH2      ARG   6   0.869  -9.571  -5.374
   59   1HH2  ARG   6          2HH1      ARG   6   3.482  -7.519  -6.653
   60   2HH2  ARG   6          1HH1      ARG   6   2.862  -9.186  -6.511
   61    H    HIS   7           H        HIS   7  -1.330  -3.420   0.010
   62    HA   HIS   7           HA       HIS   7  -2.286  -0.794  -0.521
   63   1HB   HIS   7          2HB       HIS   7  -2.954  -3.071   1.189
   64   2HB   HIS   7          1HB       HIS   7  -3.405  -1.481   1.863
   65    HD1  HIS   7           1HD      HIS   7  -4.984  -4.072   0.139
   66    HD2  HIS   7           2HD      HIS   7  -4.717   0.052  -0.577
   67    HE1  HIS   7           1HE      HIS   7  -6.949  -3.481  -1.377
   68    H    ALA   8           H        ALA   8   0.239  -2.224   1.426
   69    HA   ALA   8           HA       ALA   8   0.328  -0.260   3.449
   70   1HB   ALA   8          1HB       ALA   8   2.544  -2.039   2.355
   71   2HB   ALA   8          2HB       ALA   8   2.499  -1.251   3.951
   72   3HB   ALA   8          3HB       ALA   8   1.339  -2.544   3.564
   73    H    PHE   9           H        PHE   9   1.492  -0.464   0.101
   74    HA   PHE   9           HA       PHE   9   3.419   1.562   0.276
   75   1HB   PHE   9          2HB       PHE   9   1.830   0.014  -1.686
   76   2HB   PHE   9          1HB       PHE   9   2.343   1.604  -2.319
   77    HD1  PHE   9           1HD      PHE   9   3.474  -1.697  -1.187
   78    HD2  PHE   9           2HD      PHE   9   4.669   2.061  -2.754
   79    HE1  PHE   9           1HE      PHE   9   5.736  -2.642  -1.731
   80    HE2  PHE   9           2HE      PHE   9   6.930   1.117  -3.296
   81    HZ   PHE   9           HZ       PHE   9   7.437  -1.224  -2.778
   82    H    ARG  10           H        ARG  10  -0.097   1.610   0.199
   83    HA   ARG  10           HA       ARG  10  -0.339   4.169  -0.908
   84   1HB   ARG  10          2HB       ARG  10  -2.161   2.352   0.712
   85   2HB   ARG  10          1HB       ARG  10  -2.676   4.001   0.295
   86   1HG   ARG  10          2HG       ARG  10  -1.904   3.216  -2.147
   87   2HG   ARG  10          1HG       ARG  10  -2.195   1.601  -1.463
   88   1HD   ARG  10          2HD       ARG  10  -4.316   2.083  -2.276
   89   2HD   ARG  10          1HD       ARG  10  -4.473   2.821  -0.669
   90    HE   ARG  10           HE       ARG  10  -3.390   4.626  -2.700
   91   1HH1  ARG  10          2HH2      ARG  10  -6.379   3.331  -1.307
   92   2HH1  ARG  10          1HH2      ARG  10  -7.345   4.676  -1.815
   93   1HH2  ARG  10          2HH1      ARG  10  -4.630   6.378  -3.365
   94   2HH2  ARG  10          1HH1      ARG  10  -6.374   6.432  -2.993
   95    H    SER  11           H        SER  11   0.507   2.921   2.258
   96    HA   SER  11           HA       SER  11  -0.339   5.200   3.702
   97   1HB   SER  11          2HB       SER  11  -0.129   3.009   4.735
   98   2HB   SER  11          1HB       SER  11   1.623   2.978   4.425
   99    HG   SER  11           HG       SER  11   1.551   5.114   5.729
  100    H    MET  12           H        MET  12   2.283   4.492   1.579
  101    HA   MET  12           HA       MET  12   4.109   6.279   2.891
  102   1HB   MET  12          2HB       MET  12   4.164   4.178   0.902
  103   2HB   MET  12          1HB       MET  12   4.955   5.612   0.216
  104   1HG   MET  12          2HG       MET  12   6.786   4.820   1.294
  105   2HG   MET  12          1HG       MET  12   6.067   5.589   2.723
  106   1HE   MET  12          1HE       MET  12   3.798   3.394   4.060
  107   2HE   MET  12          2HE       MET  12   5.242   3.149   5.071
  108   3HE   MET  12          3HE       MET  12   4.915   4.747   4.360
  109    H    PHE  13           H        PHE  13   1.465   6.507   0.714
  110    HA   PHE  13           HA       PHE  13   2.392   8.504  -1.015
  111   1HB   PHE  13          2HB       PHE  13   0.083   6.983  -0.386
  112   2HB   PHE  13          1HB       PHE  13  -0.453   8.681  -0.259
  113    HD1  PHE  13           1HD      PHE  13   0.992  10.006  -2.373
  114    HD2  PHE  13           2HD      PHE  13  -0.778   6.149  -2.368
  115    HE1  PHE  13           1HE      PHE  13   0.746  10.115  -4.868
  116    HE2  PHE  13           2HE      PHE  13  -1.023   6.259  -4.864
  117    HZ   PHE  13           HZ       PHE  13  -0.258   8.241  -6.084
  118    HA   PRO  14           HA       PRO  14   0.536  11.475   2.176
  119   1HB   PRO  14          2HB       PRO  14  -0.168  10.559   4.642
  120   2HB   PRO  14          1HB       PRO  14  -1.323  10.751   3.325
  121   1HG   PRO  14          2HG       PRO  14  -0.130   8.288   4.417
  122   2HG   PRO  14          1HG       PRO  14  -1.572   8.460   3.408
  123   1HD   PRO  14          2HD       PRO  14   1.063   7.613   2.595
  124   2HD   PRO  14          1HD       PRO  14  -0.377   7.851   1.542
  125    H    SER  15           H        SER  15   2.705   9.012   3.148
  126    HA   SER  15           HA       SER  15   3.979  10.753   5.031
  127   1HB   SER  15          2HB       SER  15   3.776   8.297   5.347
  128   2HB   SER  15          1HB       SER  15   4.886   8.038   3.979
  129    HG   SER  15           HG       SER  15   6.346   8.075   5.581
  130    H    SER  16           H        SER  16   4.175   9.882   1.630
  131    HA   SER  16           HA       SER  16   6.886  10.757   1.386
  132   1HB   SER  16          2HB       SER  16   6.363   9.053  -0.089
  133   2HB   SER  16          1HB       SER  16   4.769   9.722  -0.511
  134    HG   SER  16           HG       SER  16   6.782   9.926  -2.055
  135    H    GLU  17           H        GLU  17   3.803  12.219   1.622
  136    HA   GLU  17           HA       GLU  17   4.542  14.429  -0.091
  137   1HB   GLU  17          2HB       GLU  17   2.185  13.326   0.006
  138   2HB   GLU  17          1HB       GLU  17   1.982  14.228   1.523
  139   1HG   GLU  17          2HG       GLU  17   3.029  16.063  -0.387
  140   2HG   GLU  17          1HG       GLU  17   1.772  15.132  -1.231
  141    HE2  GLU  17           HE2      GLU  17  -0.345  17.479   0.227
  Start of MODEL   16
    1   1H    ARG   1          1H        ARG   1  -5.599 -13.381   1.983
    2   2H    ARG   1          2H        ARG   1  -5.166 -14.579   0.885
    3    HA   ARG   1           HA       ARG   1  -4.547 -13.244  -0.607
    4   1HB   ARG   1          2HB       ARG   1  -6.645 -12.098   0.777
    5   2HB   ARG   1          1HB       ARG   1  -5.479 -10.758   0.749
    6   1HG   ARG   1          2HG       ARG   1  -5.947 -10.379  -1.439
    7   2HG   ARG   1          1HG       ARG   1  -5.638 -12.079  -1.851
    8   1HD   ARG   1          2HD       ARG   1  -7.885 -12.028  -2.360
    9   2HD   ARG   1          1HD       ARG   1  -8.076 -12.282  -0.614
   10    HE   ARG   1           HE       ARG   1  -8.788 -10.040  -0.415
   11   1HH1  ARG   1          2HH2      ARG   1  -7.480 -10.598  -3.660
   12   2HH1  ARG   1          1HH2      ARG   1  -8.052  -9.088  -4.286
   13   1HH2  ARG   1          2HH1      ARG   1  -9.537  -8.078  -1.213
   14   2HH2  ARG   1          1HH1      ARG   1  -9.231  -7.628  -2.912
   15    H    SER   2           H        SER   2  -2.347 -12.930  -0.894
   16    HA   SER   2           HA       SER   2  -0.934 -11.388   1.078
   17   1HB   SER   2          2HB       SER   2  -0.331 -13.472  -0.793
   18   2HB   SER   2          1HB       SER   2   0.770 -12.108  -1.110
   19    HG   SER   2           HG       SER   2   1.726 -12.370   0.826
   20    H    LYS   3           H        LYS   3  -2.951 -10.418  -1.191
   21    HA   LYS   3           HA       LYS   3  -1.221  -8.666  -2.701
   22   1HB   LYS   3          2HB       LYS   3  -3.748  -9.853  -3.039
   23   2HB   LYS   3          1HB       LYS   3  -4.018  -8.096  -3.034
   24   1HG   LYS   3          2HG       LYS   3  -2.618  -7.735  -4.857
   25   2HG   LYS   3          1HG       LYS   3  -1.741  -9.266  -4.653
   26   1HD   LYS   3          2HD       LYS   3  -4.115 -10.323  -5.114
   27   2HD   LYS   3          1HD       LYS   3  -4.446  -8.765  -5.906
   28   1HE   LYS   3          2HE       LYS   3  -2.611  -9.048  -7.418
   29   2HE   LYS   3          1HE       LYS   3  -2.002 -10.474  -6.552
   30   1HZ   LYS   3          1HZ       LYS   3  -3.726 -11.772  -7.380
   31   2HZ   LYS   3          2HZ       LYS   3  -4.728 -10.521  -7.664
   32    H    ASP   4           H        ASP   4  -1.977  -8.669   0.431
   33    HA   ASP   4           HA       ASP   4  -3.080  -6.057   0.662
   34   1HB   ASP   4          2HB       ASP   4  -2.774  -8.321   2.327
   35   2HB   ASP   4          1HB       ASP   4  -1.760  -7.049   3.075
   36    HD2  ASP   4           HD2      ASP   4  -5.667  -7.037   3.494
   37    H    LEU   5           H        LEU   5   0.066  -7.572   0.336
   38    HA   LEU   5           HA       LEU   5   1.639  -5.735   1.743
   39   1HB   LEU   5          2HB       LEU   5   2.016  -8.075   0.578
   40   2HB   LEU   5          1HB       LEU   5   2.740  -7.028  -0.683
   41    HG   LEU   5           HG       LEU   5   3.562  -6.737   2.192
   42   1HD1  LEU   5          1HD1      LEU   5   4.444  -8.910   0.293
   43   2HD1  LEU   5          2HD1      LEU   5   5.479  -8.328   1.618
   44   3HD1  LEU   5          3HD1      LEU   5   3.893  -9.051   1.981
   45   1HD2  LEU   5          1HD2      LEU   5   5.783  -6.313   0.781
   46   2HD2  LEU   5          2HD2      LEU   5   4.590  -5.933  -0.484
   47   3HD2  LEU   5          3HD2      LEU   5   4.566  -5.044   1.057
   48    H    ARG   6           H        ARG   6   0.068  -5.662  -1.437
   49    HA   ARG   6           HA       ARG   6   1.641  -3.524  -2.381
   50   1HB   ARG   6          2HB       ARG   6  -0.003  -5.321  -3.592
   51   2HB   ARG   6          1HB       ARG   6  -1.126  -3.947  -3.475
   52   1HG   ARG   6          2HG       ARG   6  -0.086  -2.969  -5.236
   53   2HG   ARG   6          1HG       ARG   6   1.472  -3.028  -4.384
   54   1HD   ARG   6          2HD       ARG   6   0.263  -5.413  -5.854
   55   2HD   ARG   6          1HD       ARG   6   1.340  -4.242  -6.643
   56    HE   ARG   6           HE       ARG   6   2.773  -4.979  -4.427
   57   1HH1  ARG   6          2HH2      ARG   6   1.099  -6.895  -6.893
   58   2HH1  ARG   6          1HH2      ARG   6   2.174  -8.245  -6.752
   59   1HH2  ARG   6          2HH1      ARG   6   4.176  -6.725  -4.232
   60   2HH2  ARG   6          1HH1      ARG   6   3.942  -8.178  -5.240
   61    H    HIS   7           H        HIS   7  -1.078  -3.855  -0.220
   62    HA   HIS   7           HA       HIS   7  -2.179  -1.275  -0.705
   63   1HB   HIS   7          2HB       HIS   7  -2.739  -3.616   0.859
   64   2HB   HIS   7          1HB       HIS   7  -2.978  -2.141   1.839
   65    HD1  HIS   7           1HD      HIS   7  -4.705  -4.297  -0.517
   66    HD2  HIS   7           2HD      HIS   7  -4.770  -0.205   0.406
   67    HE1  HIS   7           1HE      HIS   7  -6.892  -3.385  -1.465
   68    H    ALA   8           H        ALA   8   0.524  -2.579   1.086
   69    HA   ALA   8           HA       ALA   8   0.654  -0.596   3.088
   70   1HB   ALA   8          1HB       ALA   8   3.246  -1.635   2.383
   71   2HB   ALA   8          2HB       ALA   8   2.237  -2.019   3.798
   72   3HB   ALA   8          3HB       ALA   8   2.051  -2.951   2.293
   73    H    PHE   9           H        PHE   9   1.613  -0.778  -0.326
   74    HA   PHE   9           HA       PHE   9   3.456   1.331  -0.286
   75   1HB   PHE   9          2HB       PHE   9   1.814  -0.299  -2.135
   76   2HB   PHE   9          1HB       PHE   9   2.217   1.306  -2.807
   77    HD1  PHE   9           1HD      PHE   9   4.473   1.845  -3.426
   78    HD2  PHE   9           2HD      PHE   9   3.575  -1.923  -1.696
   79    HE1  PHE   9           1HE      PHE   9   6.735   0.995  -4.107
   80    HE2  PHE   9           2HE      PHE   9   5.836  -2.775  -2.377
   81    HZ   PHE   9           HZ       PHE   9   7.389  -1.306  -3.575
   82    H    ARG  10           H        ARG  10  -0.056   1.226  -0.141
   83    HA   ARG  10           HA       ARG  10  -0.480   3.763  -1.243
   84   1HB   ARG  10          2HB       ARG  10  -2.091   1.648  -0.491
   85   2HB   ARG  10          1HB       ARG  10  -2.434   2.820   0.801
   86   1HG   ARG  10          2HG       ARG  10  -3.858   3.818  -0.656
   87   2HG   ARG  10          1HG       ARG  10  -2.445   4.296  -1.621
   88   1HD   ARG  10          2HD       ARG  10  -3.278   2.980  -3.275
   89   2HD   ARG  10          1HD       ARG  10  -2.953   1.570  -2.248
   90    HE   ARG  10           HE       ARG  10  -5.250   1.472  -1.755
   91   1HH1  ARG  10          2HH2      ARG  10  -4.518   4.570  -3.309
   92   2HH1  ARG  10          1HH2      ARG  10  -6.183   5.007  -3.506
   93   1HH2  ARG  10          2HH1      ARG  10  -7.414   2.024  -2.004
   94   2HH2  ARG  10          1HH1      ARG  10  -7.860   3.572  -2.770
   95    H    SER  11           H        SER  11   0.620   2.579   1.870
   96    HA   SER  11           HA       SER  11  -0.232   4.833   3.350
   97   1HB   SER  11          2HB       SER  11   0.200   2.574   4.288
   98   2HB   SER  11          1HB       SER  11   1.944   2.805   4.021
   99    HG   SER  11           HG       SER  11   1.945   3.711   5.958
  100    H    MET  12           H        MET  12   2.278   4.221   1.069
  101    HA   MET  12           HA       MET  12   4.105   6.095   2.252
  102   1HB   MET  12          2HB       MET  12   4.119   3.986   0.263
  103   2HB   MET  12          1HB       MET  12   4.821   5.450  -0.460
  104   1HG   MET  12          2HG       MET  12   6.165   5.588   1.785
  105   2HG   MET  12          1HG       MET  12   5.785   3.861   1.937
  106   1HE   MET  12          1HE       MET  12   6.683   1.987  -0.141
  107   2HE   MET  12          2HE       MET  12   8.425   2.241   0.115
  108   3HE   MET  12          3HE       MET  12   7.295   2.373   1.484
  109    H    PHE  13           H        PHE  13   1.321   6.192   0.247
  110    HA   PHE  13           HA       PHE  13   2.049   8.212  -1.549
  111   1HB   PHE  13          2HB       PHE  13  -0.147   6.597  -0.766
  112   2HB   PHE  13          1HB       PHE  13  -0.747   8.273  -0.615
  113    HD1  PHE  13           1HD      PHE  13  -1.976   8.932  -2.437
  114    HD2  PHE  13           2HD      PHE  13   1.384   6.419  -3.070
  115    HE1  PHE  13           1HE      PHE  13  -2.384   9.010  -4.913
  116    HE2  PHE  13           2HE      PHE  13   0.976   6.497  -5.545
  117    HZ   PHE  13           HZ       PHE  13  -0.903   7.791  -6.438
  118    HA   PRO  14           HA       PRO  14   0.272  11.127   1.736
  119   1HB   PRO  14          2HB       PRO  14  -0.236  10.200   4.248
  120   2HB   PRO  14          1HB       PRO  14  -1.478  10.333   3.005
  121   1HG   PRO  14          2HG       PRO  14  -0.113   7.933   4.033
  122   2HG   PRO  14          1HG       PRO  14  -1.622   8.034   3.117
  123   1HD   PRO  14          2HD       PRO  14   0.991   7.294   2.144
  124   2HD   PRO  14          1HD       PRO  14  -0.521   7.462   1.182
  125    H    SER  15           H        SER  15   2.602   8.767   2.583
  126    HA   SER  15           HA       SER  15   3.917  10.577   4.370
  127   1HB   SER  15          2HB       SER  15   3.966   8.253   4.913
  128   2HB   SER  15          1HB       SER  15   4.620   7.806   3.320
  129    HG   SER  15           HG       SER  15   5.981   8.464   5.576
  130    H    SER  16           H        SER  16   3.935   9.687   0.970
  131    HA   SER  16           HA       SER  16   6.575  10.395   0.412
  132   1HB   SER  16          2HB       SER  16   4.116   9.753  -1.048
  133   2HB   SER  16          1HB       SER  16   5.173  10.874  -1.941
  134    HG   SER  16           HG       SER  16   6.127   9.028  -2.534
  135    H    GLU  17           H        GLU  17   3.816  12.248   1.319
  136    HA   GLU  17           HA       GLU  17   4.694  14.586  -0.114
  137   1HB   GLU  17          2HB       GLU  17   2.253  14.003   0.129
  138   2HB   GLU  17          1HB       GLU  17   2.400  14.307   1.875
  139   1HG   GLU  17          2HG       GLU  17   2.531  16.596   1.559
  140   2HG   GLU  17          1HG       GLU  17   3.377  16.441   0.003
  141    HE2  GLU  17           HE2      GLU  17   0.257  17.435  -1.216
  Start of MODEL   17
    1   1H    ARG   1          1H        ARG   1  -4.095 -11.177   3.085
    2   2H    ARG   1          2H        ARG   1  -4.729 -12.703   2.773
    3    HA   ARG   1           HA       ARG   1  -3.608 -12.914   0.818
    4   1HB   ARG   1          2HB       ARG   1  -5.677 -11.141   1.205
    5   2HB   ARG   1          1HB       ARG   1  -4.487 -10.088   0.407
    6   1HG   ARG   1          2HG       ARG   1  -5.718 -11.022  -1.384
    7   2HG   ARG   1          1HG       ARG   1  -4.292 -12.078  -1.303
    8   1HD   ARG   1          2HD       ARG   1  -6.680 -12.821   0.365
    9   2HD   ARG   1          1HD       ARG   1  -6.832 -13.010  -1.393
   10    HE   ARG   1           HE       ARG   1  -4.396 -14.182  -0.800
   11   1HH1  ARG   1          2HH2      ARG   1  -7.677 -14.619   0.466
   12   2HH1  ARG   1          1HH2      ARG   1  -7.432 -16.286   0.870
   13   1HH2  ARG   1          2HH1      ARG   1  -4.064 -16.343  -0.280
   14   2HH2  ARG   1          1HH1      ARG   1  -5.378 -17.299   0.457
   15    H    SER   2           H        SER   2  -2.037 -12.111  -0.783
   16    HA   SER   2           HA       SER   2   0.023 -10.580   0.515
   17   1HB   SER   2          2HB       SER   2  -0.161 -12.594  -1.567
   18   2HB   SER   2          1HB       SER   2   0.877 -11.246  -2.089
   19    HG   SER   2           HG       SER   2   1.953 -13.060  -0.877
   20    H    LYS   3           H        LYS   3  -2.561 -10.204  -1.800
   21    HA   LYS   3           HA       LYS   3  -1.447  -8.154  -3.369
   22   1HB   LYS   3          2HB       LYS   3  -4.106  -9.339  -2.877
   23   2HB   LYS   3          1HB       LYS   3  -4.093  -7.702  -3.573
   24   1HG   LYS   3          2HG       LYS   3  -2.835  -8.387  -5.451
   25   2HG   LYS   3          1HG       LYS   3  -2.384  -9.944  -4.719
   26   1HD   LYS   3          2HD       LYS   3  -4.642 -10.754  -4.875
   27   2HD   LYS   3          1HD       LYS   3  -5.256  -9.174  -5.408
   28   1HE   LYS   3          2HE       LYS   3  -5.074 -10.603  -7.340
   29   2HE   LYS   3          1HE       LYS   3  -3.800  -9.371  -7.466
   30   1HZ   LYS   3          1HZ       LYS   3  -2.827 -11.624  -6.060
   31   2HZ   LYS   3          2HZ       LYS   3  -3.451 -12.129  -7.476
   32    H    ASP   4           H        ASP   4  -2.593  -8.292  -0.081
   33    HA   ASP   4           HA       ASP   4  -3.425  -5.634   0.123
   34   1HB   ASP   4          2HB       ASP   4  -3.264  -7.914   1.788
   35   2HB   ASP   4          1HB       ASP   4  -2.251  -6.675   2.590
   36    HD2  ASP   4           HD2      ASP   4  -6.224  -6.178   2.326
   37    H    LEU   5           H        LEU   5  -0.317  -7.246  -0.065
   38    HA   LEU   5           HA       LEU   5   1.247  -5.467   1.424
   39   1HB   LEU   5          2HB       LEU   5   1.702  -7.784   0.503
   40   2HB   LEU   5          1HB       LEU   5   2.228  -6.950  -0.994
   41    HG   LEU   5           HG       LEU   5   3.815  -5.628   0.513
   42   1HD1  LEU   5          1HD1      LEU   5   2.792  -7.668   2.456
   43   2HD1  LEU   5          2HD1      LEU   5   4.486  -7.130   2.557
   44   3HD1  LEU   5          3HD1      LEU   5   3.167  -5.944   2.695
   45   1HD2  LEU   5          1HD2      LEU   5   4.818  -7.133  -0.955
   46   2HD2  LEU   5          2HD2      LEU   5   5.436  -7.630   0.638
   47   3HD2  LEU   5          3HD2      LEU   5   4.125  -8.552  -0.136
   48    H    ARG   6           H        ARG   6  -0.173  -5.327  -1.825
   49    HA   ARG   6           HA       ARG   6   1.508  -3.234  -2.680
   50   1HB   ARG   6          2HB       ARG   6  -0.354  -4.964  -3.876
   51   2HB   ARG   6          1HB       ARG   6  -1.123  -3.366  -4.009
   52   1HG   ARG   6          2HG       ARG   6   0.475  -2.625  -5.496
   53   2HG   ARG   6          1HG       ARG   6   1.786  -3.507  -4.684
   54   1HD   ARG   6          2HD       ARG   6   1.083  -5.585  -5.762
   55   2HD   ARG   6          1HD       ARG   6  -0.385  -4.812  -6.394
   56    HE   ARG   6           HE       ARG   6   2.123  -3.524  -7.209
   57   1HH1  ARG   6          2HH2      ARG   6  -0.234  -6.047  -8.005
   58   2HH1  ARG   6          1HH2      ARG   6   0.199  -6.095  -9.682
   59   1HH2  ARG   6          2HH1      ARG   6   2.694  -3.575  -9.383
   60   2HH2  ARG   6          1HH1      ARG   6   1.869  -4.696 -10.499
   61    H    HIS   7           H        HIS   7  -1.317  -3.491  -0.648
   62    HA   HIS   7           HA       HIS   7  -2.315  -0.877  -1.166
   63   1HB   HIS   7          2HB       HIS   7  -2.914  -3.151   0.591
   64   2HB   HIS   7          1HB       HIS   7  -3.405  -1.553   1.220
   65    HD1  HIS   7           1HD      HIS   7  -3.697  -3.300  -2.199
   66    HD2  HIS   7           2HD      HIS   7  -5.985  -1.067   0.518
   67    HE1  HIS   7           1HE      HIS   7  -6.014  -3.060  -3.242
   68    H    ALA   8           H        ALA   8   0.261  -2.273   0.739
   69    HA   ALA   8           HA       ALA   8   0.360  -0.305   2.758
   70   1HB   ALA   8          1HB       ALA   8   2.089  -2.501   1.695
   71   2HB   ALA   8          2HB       ALA   8   2.890  -1.231   2.651
   72   3HB   ALA   8          3HB       ALA   8   1.555  -2.170   3.361
   73    H    PHE   9           H        PHE   9   1.469  -0.499  -0.610
   74    HA   PHE   9           HA       PHE   9   3.372   1.552  -0.471
   75   1HB   PHE   9          2HB       PHE   9   1.769  -0.018  -2.405
   76   2HB   PHE   9          1HB       PHE   9   2.253   1.577  -3.047
   77    HD1  PHE   9           1HD      PHE   9   3.168  -1.766  -2.911
   78    HD2  PHE   9           2HD      PHE   9   4.840   2.117  -2.539
   79    HE1  PHE   9           1HE      PHE   9   5.431  -2.685  -3.490
   80    HE2  PHE   9           2HE      PHE   9   7.103   1.197  -3.119
   81    HZ   PHE   9           HZ       PHE   9   7.371  -1.193  -3.586
   82    H    ARG  10           H        ARG  10  -0.145   1.554  -0.490
   83    HA   ARG  10           HA       ARG  10  -0.439   4.108  -1.595
   84   1HB   ARG  10          2HB       ARG  10  -2.206   2.257   0.042
   85   2HB   ARG  10          1HB       ARG  10  -2.751   3.906  -0.334
   86   1HG   ARG  10          2HG       ARG  10  -2.400   3.391  -2.767
   87   2HG   ARG  10          1HG       ARG  10  -1.929   1.736  -2.322
   88   1HD   ARG  10          2HD       ARG  10  -4.210   1.478  -1.254
   89   2HD   ARG  10          1HD       ARG  10  -4.630   3.092  -1.864
   90    HE   ARG  10           HE       ARG  10  -3.731   1.693  -4.095
   91   1HH1  ARG  10          2HH2      ARG  10  -6.240   1.121  -1.661
   92   2HH1  ARG  10          1HH2      ARG  10  -7.253   0.218  -2.737
   93   1HH2  ARG  10          2HH1      ARG  10  -5.034   0.524  -5.503
   94   2HH2  ARG  10          1HH1      ARG  10  -6.591  -0.139  -4.940
   95    H    SER  11           H        SER  11   0.476   2.875   1.559
   96    HA   SER  11           HA       SER  11  -0.377   5.144   3.013
   97   1HB   SER  11          2HB       SER  11   0.098   2.733   3.806
   98   2HB   SER  11          1HB       SER  11   1.802   3.233   3.906
   99    HG   SER  11           HG       SER  11   1.309   4.724   5.498
  100    H    MET  12           H        MET  12   2.220   4.469   0.848
  101    HA   MET  12           HA       MET  12   4.044   6.280   2.128
  102   1HB   MET  12          2HB       MET  12   4.099   4.170   0.157
  103   2HB   MET  12          1HB       MET  12   4.844   5.614  -0.566
  104   1HG   MET  12          2HG       MET  12   6.677   4.645   0.462
  105   2HG   MET  12          1HG       MET  12   6.137   5.739   1.752
  106   1HE   MET  12          1HE       MET  12   5.105   5.321   3.640
  107   2HE   MET  12          2HE       MET  12   3.756   4.166   3.526
  108   3HE   MET  12          3HE       MET  12   5.155   3.799   4.562
  109    H    PHE  13           H        PHE  13   1.362   6.472  -0.005
  110    HA   PHE  13           HA       PHE  13   2.235   8.478  -1.751
  111   1HB   PHE  13          2HB       PHE  13  -0.041   6.927  -1.083
  112   2HB   PHE  13          1HB       PHE  13  -0.600   8.619  -0.949
  113    HD1  PHE  13           1HD      PHE  13   0.261   5.927  -3.193
  114    HD2  PHE  13           2HD      PHE  13  -0.393  10.113  -2.945
  115    HE1  PHE  13           1HE      PHE  13  -0.028   6.030  -5.684
  116    HE2  PHE  13           2HE      PHE  13  -0.681  10.216  -5.436
  117    HZ   PHE  13           HZ       PHE  13  -0.495   8.173  -6.776
  118    HA   PRO  14           HA       PRO  14   0.393  11.429   1.466
  119   1HB   PRO  14          2HB       PRO  14  -0.259  10.506   3.945
  120   2HB   PRO  14          1HB       PRO  14  -1.437  10.683   2.646
  121   1HG   PRO  14          2HG       PRO  14  -0.193   8.238   3.721
  122   2HG   PRO  14          1HG       PRO  14  -1.655   8.389   2.736
  123   1HD   PRO  14          2HD       PRO  14   0.976   7.573   1.880
  124   2HD   PRO  14          1HD       PRO  14  -0.484   7.793   0.850
  125    H    SER  15           H        SER  15   2.609   8.996   2.405
  126    HA   SER  15           HA       SER  15   3.891  10.756   4.263
  127   1HB   SER  15          2HB       SER  15   3.668   8.161   4.317
  128   2HB   SER  15          1HB       SER  15   5.091   8.171   3.248
  129    HG   SER  15           HG       SER  15   4.933   8.604   5.981
  130    H    SER  16           H        SER  16   4.044   9.882   0.862
  131    HA   SER  16           HA       SER  16   6.727  10.509   0.432
  132   1HB   SER  16          2HB       SER  16   4.312   9.978  -1.150
  133   2HB   SER  16          1HB       SER  16   5.470  11.043  -1.982
  134    HG   SER  16           HG       SER  16   6.202   8.518  -0.775
  135    H    GLU  17           H        GLU  17   3.934  12.441   1.138
  136    HA   GLU  17           HA       GLU  17   4.872  14.748  -0.253
  137   1HB   GLU  17          2HB       GLU  17   2.468  13.942   1.254
  138   2HB   GLU  17          1HB       GLU  17   2.943  15.631   1.544
  139   1HG   GLU  17          2HG       GLU  17   2.118  16.199  -0.489
  140   2HG   GLU  17          1HG       GLU  17   3.161  14.998  -1.282
  141    HE2  GLU  17           HE2      GLU  17  -0.692  14.353  -1.003
  Start of MODEL   18
    1   1H    ARG   1          1H        ARG   1  -4.910  -9.332   1.070
    2   2H    ARG   1          2H        ARG   1  -5.675 -10.387   0.008
    3    HA   ARG   1           HA       ARG   1  -5.136 -11.282   2.661
    4   1HB   ARG   1          2HB       ARG   1  -5.252 -12.489  -0.123
    5   2HB   ARG   1          1HB       ARG   1  -4.468 -13.383   1.198
    6   1HG   ARG   1          2HG       ARG   1  -6.558 -13.310   2.491
    7   2HG   ARG   1          1HG       ARG   1  -7.315 -12.277   1.259
    8   1HD   ARG   1          2HD       ARG   1  -8.105 -14.480   0.805
    9   2HD   ARG   1          1HD       ARG   1  -6.797 -14.247  -0.373
   10    HE   ARG   1           HE       ARG   1  -5.990 -15.452   2.188
   11   1HH1  ARG   1          2HH2      ARG   1  -7.120 -16.080  -1.111
   12   2HH1  ARG   1          1HH2      ARG   1  -6.522 -17.705  -1.140
   13   1HH2  ARG   1          2HH1      ARG   1  -5.208 -17.559   2.165
   14   2HH2  ARG   1          1HH1      ARG   1  -5.425 -18.579   0.717
   15    H    SER   2           H        SER   2  -3.241 -12.198  -0.235
   16    HA   SER   2           HA       SER   2  -0.853 -11.562   1.222
   17   1HB   SER   2          2HB       SER   2  -1.495 -13.627  -0.345
   18   2HB   SER   2          1HB       SER   2  -0.753 -12.598  -1.594
   19    HG   SER   2           HG       SER   2   1.162 -12.471  -0.231
   20    H    LYS   3           H        LYS   3  -2.932 -10.137  -1.164
   21    HA   LYS   3           HA       LYS   3  -0.836  -8.561  -2.376
   22   1HB   LYS   3          2HB       LYS   3  -3.587  -9.277  -2.929
   23   2HB   LYS   3          1HB       LYS   3  -3.295  -7.543  -3.191
   24   1HG   LYS   3          2HG       LYS   3  -2.763  -8.511  -5.254
   25   2HG   LYS   3          1HG       LYS   3  -1.172  -8.297  -4.494
   26   1HD   LYS   3          2HD       LYS   3  -0.837 -10.467  -4.959
   27   2HD   LYS   3          1HD       LYS   3  -1.920 -10.816  -3.595
   28   1HE   LYS   3          2HE       LYS   3  -3.515 -10.215  -5.900
   29   2HE   LYS   3          1HE       LYS   3  -2.318 -11.437  -6.376
   30   1HZ   LYS   3          1HZ       LYS   3  -4.282 -12.507  -5.455
   31   2HZ   LYS   3          2HZ       LYS   3  -3.041 -12.753  -4.431
   32    H    ASP   4           H        ASP   4  -1.986  -8.554   0.633
   33    HA   ASP   4           HA       ASP   4  -2.951  -5.941   0.919
   34   1HB   ASP   4          2HB       ASP   4  -2.330  -8.237   2.599
   35   2HB   ASP   4          1HB       ASP   4  -1.735  -6.734   3.362
   36    HD2  ASP   4           HD2      ASP   4  -5.338  -7.667   4.034
   37    H    LEU   5           H        LEU   5   0.211  -7.404   0.530
   38    HA   LEU   5           HA       LEU   5   1.775  -5.570   1.952
   39   1HB   LEU   5          2HB       LEU   5   2.092  -7.705   0.030
   40   2HB   LEU   5          1HB       LEU   5   3.358  -6.443  -0.113
   41    HG   LEU   5           HG       LEU   5   4.117  -8.259   1.311
   42   1HD1  LEU   5          1HD1      LEU   5   4.894  -6.988   3.163
   43   2HD1  LEU   5          2HD1      LEU   5   4.741  -5.867   1.789
   44   3HD1  LEU   5          3HD1      LEU   5   3.507  -5.876   3.071
   45   1HD2  LEU   5          1HD2      LEU   5   2.338  -7.808   3.577
   46   2HD2  LEU   5          2HD2      LEU   5   1.479  -8.428   2.147
   47   3HD2  LEU   5          3HD2      LEU   5   2.863  -9.326   2.812
   48    H    ARG   6           H        ARG   6   0.166  -5.462  -1.208
   49    HA   ARG   6           HA       ARG   6   1.699  -3.287  -2.131
   50   1HB   ARG   6          2HB       ARG   6  -0.582  -4.924  -3.064
   51   2HB   ARG   6          1HB       ARG   6  -0.702  -3.221  -3.565
   52   1HG   ARG   6          2HG       ARG   6   1.906  -3.693  -4.154
   53   2HG   ARG   6          1HG       ARG   6   1.274  -5.347  -4.319
   54   1HD   ARG   6          2HD       ARG   6  -0.303  -3.140  -5.604
   55   2HD   ARG   6          1HD       ARG   6   1.269  -3.522  -6.332
   56    HE   ARG   6           HE       ARG   6  -0.432  -5.849  -5.765
   57   1HH1  ARG   6          2HH2      ARG   6   0.407  -3.370  -8.154
   58   2HH1  ARG   6          1HH2      ARG   6  -0.180  -4.290  -9.498
   59   1HH2  ARG   6          2HH1      ARG   6  -1.198  -7.054  -7.500
   60   2HH2  ARG   6          1HH1      ARG   6  -1.104  -6.399  -9.157
   61    H    HIS   7           H        HIS   7  -0.991  -3.695   0.054
   62    HA   HIS   7           HA       HIS   7  -2.134  -1.123  -0.373
   63   1HB   HIS   7          2HB       HIS   7  -2.506  -3.419   1.438
   64   2HB   HIS   7          1HB       HIS   7  -3.096  -1.839   2.032
   65    HD1  HIS   7           1HD      HIS   7  -3.887  -4.600  -0.346
   66    HD2  HIS   7           2HD      HIS   7  -5.200  -0.692   0.432
   67    HE1  HIS   7           1HE      HIS   7  -6.103  -4.331  -1.581
   68    H    ALA   8           H        ALA   8   0.607  -2.419   1.366
   69    HA   ALA   8           HA       ALA   8   0.732  -0.470   3.402
   70   1HB   ALA   8          1HB       ALA   8   2.151  -2.793   2.552
   71   2HB   ALA   8          2HB       ALA   8   3.331  -1.463   2.645
   72   3HB   ALA   8          3HB       ALA   8   2.346  -1.881   4.069
   73    H    PHE   9           H        PHE   9   1.655  -0.578  -0.026
   74    HA   PHE   9           HA       PHE   9   3.470   1.555   0.031
   75   1HB   PHE   9          2HB       PHE   9   1.830  -0.066  -1.827
   76   2HB   PHE   9          1HB       PHE   9   2.202   1.556  -2.477
   77    HD1  PHE   9           1HD      PHE   9   3.233  -1.702  -2.617
   78    HD2  PHE   9           2HD      PHE   9   4.831   2.169  -1.930
   79    HE1  PHE   9           1HE      PHE   9   5.499  -2.508  -3.337
   80    HE2  PHE   9           2HE      PHE   9   7.096   1.362  -2.650
   81    HZ   PHE   9           HZ       PHE   9   7.402  -0.967  -3.344
   82    H    ARG  10           H        ARG  10  -0.040   1.398   0.214
   83    HA   ARG  10           HA       ARG  10  -0.511   3.948  -0.840
   84   1HB   ARG  10          2HB       ARG  10  -2.044   1.772   0.362
   85   2HB   ARG  10          1HB       ARG  10  -2.592   3.335   1.004
   86   1HG   ARG  10          2HG       ARG  10  -2.161   3.501  -1.871
   87   2HG   ARG  10          1HG       ARG  10  -3.224   2.128  -1.491
   88   1HD   ARG  10          2HD       ARG  10  -4.909   3.525  -0.736
   89   2HD   ARG  10          1HD       ARG  10  -3.769   4.711  -0.068
   90    HE   ARG  10           HE       ARG  10  -3.381   5.000  -2.750
   91   1HH1  ARG  10          2HH2      ARG  10  -6.368   4.823  -0.853
   92   2HH1  ARG  10          1HH2      ARG  10  -7.273   5.808  -1.954
   93   1HH2  ARG  10          2HH1      ARG  10  -4.541   6.278  -4.188
   94   2HH2  ARG  10          1HH1      ARG  10  -6.255   6.655  -3.869
   95    H    SER  11           H        SER  11   0.640   2.725   2.240
   96    HA   SER  11           HA       SER  11  -0.228   4.939   3.769
   97   1HB   SER  11          2HB       SER  11   0.293   2.622   4.607
   98   2HB   SER  11          1HB       SER  11   2.024   2.994   4.423
   99    HG   SER  11           HG       SER  11   0.586   4.943   5.832
  100    H    MET  12           H        MET  12   2.266   4.404   1.451
  101    HA   MET  12           HA       MET  12   4.079   6.282   2.648
  102   1HB   MET  12          2HB       MET  12   4.136   4.180   0.686
  103   2HB   MET  12          1HB       MET  12   4.715   5.658  -0.114
  104   1HG   MET  12          2HG       MET  12   6.516   5.908   1.352
  105   2HG   MET  12          1HG       MET  12   5.791   4.896   2.617
  106   1HE   MET  12          1HE       MET  12   6.901   1.447   1.943
  107   2HE   MET  12          2HE       MET  12   6.546   2.744   3.109
  108   3HE   MET  12          3HE       MET  12   5.267   2.146   2.026
  109    H    PHE  13           H        PHE  13   1.272   6.373   0.673
  110    HA   PHE  13           HA       PHE  13   1.952   8.436  -1.094
  111   1HB   PHE  13          2HB       PHE  13  -0.212   6.776  -0.316
  112   2HB   PHE  13          1HB       PHE  13  -0.835   8.440  -0.129
  113    HD1  PHE  13           1HD      PHE  13  -0.662   5.781  -2.334
  114    HD2  PHE  13           2HD      PHE  13  -0.137   9.991  -2.232
  115    HE1  PHE  13           1HE      PHE  13  -1.097   5.896  -4.804
  116    HE2  PHE  13           2HE      PHE  13  -0.571  10.106  -4.701
  117    HZ   PHE  13           HZ       PHE  13  -1.047   8.057  -5.957
  118    HA   PRO  14           HA       PRO  14   0.170  11.267   2.260
  119   1HB   PRO  14          2HB       PRO  14  -0.297  10.289   4.761
  120   2HB   PRO  14          1HB       PRO  14  -1.556  10.427   3.534
  121   1HG   PRO  14          2HG       PRO  14  -0.145   8.032   4.505
  122   2HG   PRO  14          1HG       PRO  14  -1.665   8.124   3.608
  123   1HD   PRO  14          2HD       PRO  14   0.947   7.440   2.594
  124   2HD   PRO  14          1HD       PRO  14  -0.578   7.601   1.651
  125    H    SER  15           H        SER  15   2.542   8.927   3.040
  126    HA   SER  15           HA       SER  15   3.849  10.725   4.845
  127   1HB   SER  15          2HB       SER  15   3.770   8.193   5.023
  128   2HB   SER  15          1HB       SER  15   4.960   8.134   3.701
  129    HG   SER  15           HG       SER  15   5.534   9.835   5.907
  130    H    SER  16           H        SER  16   3.843   9.893   1.430
  131    HA   SER  16           HA       SER  16   6.464  10.629   0.844
  132   1HB   SER  16          2HB       SER  16   3.994   9.993  -0.576
  133   2HB   SER  16          1HB       SER  16   4.975  11.191  -1.456
  134    HG   SER  16           HG       SER  16   6.382   9.661  -1.965
  135    H    GLU  17           H        GLU  17   3.705  12.459   1.828
  136    HA   GLU  17           HA       GLU  17   4.557  14.836   0.452
  137   1HB   GLU  17          2HB       GLU  17   2.094  13.875   1.447
  138   2HB   GLU  17          1HB       GLU  17   2.501  15.269   2.474
  139   1HG   GLU  17          2HG       GLU  17   2.861  15.526  -0.505
  140   2HG   GLU  17          1HG       GLU  17   1.202  15.514   0.132
  141    HE2  GLU  17           HE2      GLU  17   1.775  18.928   0.499
  Start of MODEL   19
    1   1H    ARG   1          1H        ARG   1  -3.566 -15.152   0.415
    2   2H    ARG   1          2H        ARG   1  -2.215 -14.441  -0.290
    3    HA   ARG   1           HA       ARG   1  -3.926 -12.962  -0.382
    4   1HB   ARG   1          2HB       ARG   1  -4.179 -13.495   2.613
    5   2HB   ARG   1          1HB       ARG   1  -4.934 -12.090   1.830
    6   1HG   ARG   1          2HG       ARG   1  -6.465 -13.438   0.680
    7   2HG   ARG   1          1HG       ARG   1  -5.385 -14.850   0.689
    8   1HD   ARG   1          2HD       ARG   1  -6.138 -15.523   2.765
    9   2HD   ARG   1          1HD       ARG   1  -6.318 -13.858   3.356
   10    HE   ARG   1           HE       ARG   1  -8.285 -14.189   1.392
   11   1HH1  ARG   1          2HH2      ARG   1  -7.460 -15.809   4.433
   12   2HH1  ARG   1          1HH2      ARG   1  -9.092 -16.287   4.765
   13   1HH2  ARG   1          2HH1      ARG   1 -10.408 -14.802   1.809
   14   2HH2  ARG   1          1HH1      ARG   1 -10.798 -15.725   3.285
   15    H    SER   2           H        SER   2  -1.326 -12.565  -0.713
   16    HA   SER   2           HA       SER   2  -0.380 -10.760   1.331
   17   1HB   SER   2          2HB       SER   2   0.795 -12.540  -0.583
   18   2HB   SER   2          1HB       SER   2   1.455 -10.911  -0.862
   19    HG   SER   2           HG       SER   2   2.798 -11.697   0.700
   20    H    LYS   3           H        LYS   3  -2.560 -10.436  -1.022
   21    HA   LYS   3           HA       LYS   3  -1.531  -8.397  -2.667
   22   1HB   LYS   3          2HB       LYS   3  -4.179  -9.577  -2.046
   23   2HB   LYS   3          1HB       LYS   3  -4.161  -7.994  -2.857
   24   1HG   LYS   3          2HG       LYS   3  -2.465  -9.049  -4.476
   25   2HG   LYS   3          1HG       LYS   3  -2.977 -10.624  -3.829
   26   1HD   LYS   3          2HD       LYS   3  -5.334  -9.143  -4.370
   27   2HD   LYS   3          1HD       LYS   3  -4.299  -8.953  -5.802
   28   1HE   LYS   3          2HE       LYS   3  -3.944 -11.516  -5.608
   29   2HE   LYS   3          1HE       LYS   3  -5.394 -11.512  -4.583
   30   1HZ   LYS   3          1HZ       LYS   3  -5.345 -11.498  -7.350
   31   2HZ   LYS   3          2HZ       LYS   3  -6.660 -11.296  -6.411
   32    H    ASP   4           H        ASP   4  -2.531  -8.499   0.660
   33    HA   ASP   4           HA       ASP   4  -3.395  -5.830   0.816
   34   1HB   ASP   4          2HB       ASP   4  -3.276  -8.086   2.515
   35   2HB   ASP   4          1HB       ASP   4  -2.248  -6.854   3.303
   36    HD2  ASP   4           HD2      ASP   4  -5.389  -6.169   4.711
   37    H    LEU   5           H        LEU   5  -0.306  -7.483   0.668
   38    HA   LEU   5           HA       LEU   5   1.272  -5.702   2.141
   39   1HB   LEU   5          2HB       LEU   5   1.652  -8.056   1.147
   40   2HB   LEU   5          1HB       LEU   5   2.334  -7.153  -0.241
   41    HG   LEU   5           HG       LEU   5   3.304  -6.489   2.503
   42   1HD1  LEU   5          1HD1      LEU   5   4.012  -8.532   2.994
   43   2HD1  LEU   5          2HD1      LEU   5   3.423  -9.164   1.439
   44   3HD1  LEU   5          3HD1      LEU   5   5.060  -8.474   1.556
   45   1HD2  LEU   5          1HD2      LEU   5   5.038  -6.836   0.091
   46   2HD2  LEU   5          2HD2      LEU   5   3.932  -5.442   0.163
   47   3HD2  LEU   5          3HD2      LEU   5   5.156  -5.673   1.435
   48    H    ARG   6           H        ARG   6  -0.129  -5.589  -1.116
   49    HA   ARG   6           HA       ARG   6   1.584  -3.531  -1.991
   50   1HB   ARG   6          2HB       ARG   6  -0.259  -5.258  -3.191
   51   2HB   ARG   6          1HB       ARG   6  -1.061  -3.679  -3.314
   52   1HG   ARG   6          2HG       ARG   6   1.609  -3.170  -4.023
   53   2HG   ARG   6          1HG       ARG   6   1.264  -4.755  -4.750
   54   1HD   ARG   6          2HD       ARG   6  -0.769  -2.543  -5.041
   55   2HD   ARG   6          1HD       ARG   6   0.716  -2.452  -6.010
   56    HE   ARG   6           HE       ARG   6  -1.529  -4.175  -6.461
   57   1HH1  ARG   6          2HH2      ARG   6   2.013  -4.265  -6.533
   58   2HH1  ARG   6          1HH2      ARG   6   2.081  -5.526  -7.717
   59   1HH2  ARG   6          2HH1      ARG   6  -1.457  -5.812  -7.998
   60   2HH2  ARG   6          1HH1      ARG   6   0.114  -6.430  -8.574
   61    H    HIS   7           H        HIS   7  -1.256  -3.724   0.028
   62    HA   HIS   7           HA       HIS   7  -2.217  -1.105  -0.532
   63   1HB   HIS   7          2HB       HIS   7  -3.011  -3.411   0.916
   64   2HB   HIS   7          1HB       HIS   7  -3.122  -2.002   2.008
   65    HD1  HIS   7           1HD      HIS   7  -3.945  -2.242  -1.731
   66    HD2  HIS   7           2HD      HIS   7  -5.779  -1.346   1.934
   67    HE1  HIS   7           1HE      HIS   7  -6.313  -1.473  -2.286
   68    H    ALA   8           H        ALA   8   0.330  -2.507   1.407
   69    HA   ALA   8           HA       ALA   8   0.442  -0.512   3.399
   70   1HB   ALA   8          1HB       ALA   8   2.725  -2.214   2.338
   71   2HB   ALA   8          2HB       ALA   8   2.532  -1.537   3.973
   72   3HB   ALA   8          3HB       ALA   8   1.462  -2.848   3.422
   73    H    PHE   9           H        PHE   9   1.567  -0.766   0.041
   74    HA   PHE   9           HA       PHE   9   3.496   1.261   0.163
   75   1HB   PHE   9          2HB       PHE   9   1.884  -0.316  -1.758
   76   2HB   PHE   9          1HB       PHE   9   2.390   1.264  -2.420
   77    HD1  PHE   9           1HD      PHE   9   4.603   1.609  -3.149
   78    HD2  PHE   9           2HD      PHE   9   3.644  -1.915  -0.990
   79    HE1  PHE   9           1HE      PHE   9   6.857   0.656  -3.704
   80    HE2  PHE   9           2HE      PHE   9   5.898  -2.869  -1.544
   81    HZ   PHE   9           HZ       PHE   9   7.478  -1.572  -2.894
   82    H    ARG  10           H        ARG  10  -0.021   1.308   0.125
   83    HA   ARG  10           HA       ARG  10  -0.276   3.850  -1.018
   84   1HB   ARG  10          2HB       ARG  10  -2.004   1.796   0.118
   85   2HB   ARG  10          1HB       ARG  10  -2.497   3.395   0.715
   86   1HG   ARG  10          2HG       ARG  10  -1.872   3.154  -2.207
   87   2HG   ARG  10          1HG       ARG  10  -3.337   2.325  -1.636
   88   1HD   ARG  10          2HD       ARG  10  -3.886   4.610  -0.489
   89   2HD   ARG  10          1HD       ARG  10  -2.629   5.280  -1.548
   90    HE   ARG  10           HE       ARG  10  -4.504   3.667  -3.039
   91   1HH1  ARG  10          2HH2      ARG  10  -4.204   6.828  -1.466
   92   2HH1  ARG  10          1HH2      ARG  10  -5.378   7.587  -2.490
   93   1HH2  ARG  10          2HH1      ARG  10  -6.028   4.640  -4.375
   94   2HH2  ARG  10          1HH1      ARG  10  -6.437   6.363  -4.160
   95    H    SER  11           H        SER  11   0.606   2.650   2.157
   96    HA   SER  11           HA       SER  11  -0.225   4.950   3.575
   97   1HB   SER  11          2HB       SER  11  -0.028   2.820   4.681
   98   2HB   SER  11          1HB       SER  11   1.704   2.698   4.285
   99    HG   SER  11           HG       SER  11   2.203   4.022   5.912
  100    H    MET  12           H        MET  12   2.374   4.210   1.435
  101    HA   MET  12           HA       MET  12   4.214   6.016   2.700
  102   1HB   MET  12          2HB       MET  12   4.258   3.874   0.770
  103   2HB   MET  12          1HB       MET  12   5.010   5.296   0.014
  104   1HG   MET  12          2HG       MET  12   5.794   4.650   2.823
  105   2HG   MET  12          1HG       MET  12   6.417   3.568   1.561
  106   1HE   MET  12          1HE       MET  12   7.172   6.432   3.624
  107   2HE   MET  12          2HE       MET  12   8.428   5.203   3.337
  108   3HE   MET  12          3HE       MET  12   8.717   6.897   2.871
  109    H    PHE  13           H        PHE  13   1.547   6.212   0.548
  110    HA   PHE  13           HA       PHE  13   2.455   8.182  -1.221
  111   1HB   PHE  13          2HB       PHE  13   0.153   6.670  -0.544
  112   2HB   PHE  13          1HB       PHE  13  -0.382   8.371  -0.437
  113    HD1  PHE  13           1HD      PHE  13   0.818   5.723  -2.675
  114    HD2  PHE  13           2HD      PHE  13  -0.509   9.745  -2.415
  115    HE1  PHE  13           1HE      PHE  13   0.546   5.794  -5.169
  116    HE2  PHE  13           2HE      PHE  13  -0.781   9.816  -4.909
  117    HZ   PHE  13           HZ       PHE  13  -0.251   7.840  -6.256
  118    HA   PRO  14           HA       PRO  14   0.633  11.202   1.943
  119   1HB   PRO  14          2HB       PRO  14  -0.044  10.322   4.432
  120   2HB   PRO  14          1HB       PRO  14  -1.213  10.496   3.124
  121   1HG   PRO  14          2HG       PRO  14  -0.008   8.052   4.240
  122   2HG   PRO  14          1HG       PRO  14  -1.461   8.207   3.245
  123   1HD   PRO  14          2HD       PRO  14   1.164   7.345   2.416
  124   2HD   PRO  14          1HD       PRO  14  -0.287   7.569   1.375
  125    H    SER  15           H        SER  15   2.813   8.754   2.929
  126    HA   SER  15           HA       SER  15   4.108  10.524   4.770
  127   1HB   SER  15          2HB       SER  15   4.556   7.712   3.806
  128   2HB   SER  15          1HB       SER  15   5.813   8.528   4.769
  129    HG   SER  15           HG       SER  15   3.197   8.683   5.810
  130    H    SER  16           H        SER  16   4.267   9.600   1.383
  131    HA   SER  16           HA       SER  16   6.978  10.425   1.078
  132   1HB   SER  16          2HB       SER  16   6.135   8.682  -0.327
  133   2HB   SER  16          1HB       SER  16   4.793   9.691  -0.918
  134    HG   SER  16           HG       SER  16   7.469   9.588  -1.746
  135    H    GLU  17           H        GLU  17   3.985  12.002   1.466
  136    HA   GLU  17           HA       GLU  17   4.643  14.168  -0.315
  137   1HB   GLU  17          2HB       GLU  17   2.269  13.219   0.078
  138   2HB   GLU  17          1HB       GLU  17   2.311  14.081   1.632
  139   1HG   GLU  17          2HG       GLU  17   1.870  16.046   0.580
  140   2HG   GLU  17          1HG       GLU  17   3.182  15.782  -0.591
  141    HE2  GLU  17           HE2      GLU  17  -0.149  15.774  -2.220
  Start of MODEL   20
    1   1H    ARG   1          1H        ARG   1  -2.936 -10.348   3.941
    2   2H    ARG   1          2H        ARG   1  -4.161 -11.472   4.196
    3    HA   ARG   1           HA       ARG   1  -3.149 -12.851   2.511
    4   1HB   ARG   1          2HB       ARG   1  -4.354 -10.133   1.829
    5   2HB   ARG   1          1HB       ARG   1  -4.070 -11.376   0.590
    6   1HG   ARG   1          2HG       ARG   1  -5.734 -12.765   1.468
    7   2HG   ARG   1          1HG       ARG   1  -5.560 -12.110   3.111
    8   1HD   ARG   1          2HD       ARG   1  -6.436 -10.097   1.136
    9   2HD   ARG   1          1HD       ARG   1  -7.555 -11.471   1.258
   10    HE   ARG   1           HE       ARG   1  -6.919  -9.468   3.329
   11   1HH1  ARG   1          2HH2      ARG   1  -8.401 -12.609   2.633
   12   2HH1  ARG   1          1HH2      ARG   1  -9.376 -12.606   4.064
   13   1HH2  ARG   1          2HH1      ARG   1  -8.177  -9.450   5.191
   14   2HH2  ARG   1          1HH1      ARG   1  -9.270 -10.814   5.545
   15    H    SER   2           H        SER   2  -2.086 -12.438   0.188
   16    HA   SER   2           HA       SER   2   0.458 -11.231   0.766
   17   1HB   SER   2          2HB       SER   2  -0.621 -13.254  -1.057
   18   2HB   SER   2          1HB       SER   2   0.583 -12.203  -1.841
   19    HG   SER   2           HG       SER   2   1.916 -13.669  -0.940
   20    H    LYS   3           H        LYS   3  -2.531 -10.537  -0.911
   21    HA   LYS   3           HA       LYS   3  -1.330  -8.644  -2.722
   22   1HB   LYS   3          2HB       LYS   3  -3.496  -8.330  -3.570
   23   2HB   LYS   3          1HB       LYS   3  -3.309 -10.077  -3.299
   24   1HG   LYS   3          2HG       LYS   3  -4.343  -8.673  -0.951
   25   2HG   LYS   3          1HG       LYS   3  -5.414  -8.476  -2.356
   26   1HD   LYS   3          2HD       LYS   3  -4.341 -11.206  -1.850
   27   2HD   LYS   3          1HD       LYS   3  -5.549 -10.622  -0.682
   28   1HE   LYS   3          2HE       LYS   3  -7.211 -10.394  -2.316
   29   2HE   LYS   3          1HE       LYS   3  -6.056 -10.394  -3.666
   30   1HZ   LYS   3          1HZ       LYS   3  -5.570 -12.771  -2.976
   31   2HZ   LYS   3          2HZ       LYS   3  -6.887 -12.713  -2.020
   32    H    ASP   4           H        ASP   4  -2.367  -8.752   0.574
   33    HA   ASP   4           HA       ASP   4  -3.245  -6.092   0.754
   34   1HB   ASP   4          2HB       ASP   4  -3.079  -8.359   2.441
   35   2HB   ASP   4          1HB       ASP   4  -2.065  -7.113   3.226
   36    HD2  ASP   4           HD2      ASP   4  -5.971  -6.292   2.766
   37    H    LEU   5           H        LEU   5  -0.140  -7.709   0.564
   38    HA   LEU   5           HA       LEU   5   1.431  -5.919   2.034
   39   1HB   LEU   5          2HB       LEU   5   1.783  -8.273   0.898
   40   2HB   LEU   5          1HB       LEU   5   2.586  -7.259  -0.341
   41    HG   LEU   5           HG       LEU   5   3.385  -6.685   2.434
   42   1HD1  LEU   5          1HD1      LEU   5   4.440  -9.255   1.272
   43   2HD1  LEU   5          2HD1      LEU   5   4.580  -8.623   2.930
   44   3HD1  LEU   5          3HD1      LEU   5   3.016  -9.232   2.339
   45   1HD2  LEU   5          1HD2      LEU   5   4.632  -6.886  -0.272
   46   2HD2  LEU   5          2HD2      LEU   5   4.707  -5.581   0.936
   47   3HD2  LEU   5          3HD2      LEU   5   5.676  -7.057   1.160
   48    H    ARG   6           H        ARG   6  -0.001  -5.805  -1.209
   49    HA   ARG   6           HA       ARG   6   1.679  -3.722  -2.089
   50   1HB   ARG   6          2HB       ARG   6   0.239  -5.425  -3.478
   51   2HB   ARG   6          1HB       ARG   6  -1.094  -4.278  -3.208
   52   1HG   ARG   6          2HG       ARG   6   1.369  -2.942  -4.087
   53   2HG   ARG   6          1HG       ARG   6   0.853  -4.197  -5.238
   54   1HD   ARG   6          2HD       ARG   6  -0.842  -2.865  -5.957
   55   2HD   ARG   6          1HD       ARG   6  -1.419  -2.610  -4.297
   56    HE   ARG   6           HE       ARG   6   0.976  -1.077  -4.838
   57   1HH1  ARG   6          2HH2      ARG   6  -2.511  -1.115  -5.466
   58   2HH1  ARG   6          1HH2      ARG   6  -2.618   0.601  -5.675
   59   1HH2  ARG   6          2HH1      ARG   6   0.853   1.152  -5.105
   60   2HH2  ARG   6          1HH1      ARG   6  -0.714   1.922  -5.475
   61    H    HIS   7           H        HIS   7  -1.138  -3.958  -0.045
   62    HA   HIS   7           HA       HIS   7  -2.135  -1.347  -0.582
   63   1HB   HIS   7          2HB       HIS   7  -2.886  -3.669   0.864
   64   2HB   HIS   7          1HB       HIS   7  -3.004  -2.266   1.962
   65    HD1  HIS   7           1HD      HIS   7  -3.958  -2.772  -1.732
   66    HD2  HIS   7           2HD      HIS   7  -5.571  -1.369   1.877
   67    HE1  HIS   7           1HE      HIS   7  -6.314  -1.953  -2.272
   68    H    ALA   8           H        ALA   8   0.447  -2.730   1.326
   69    HA   ALA   8           HA       ALA   8   0.557  -0.745   3.327
   70   1HB   ALA   8          1HB       ALA   8   1.831  -3.167   2.707
   71   2HB   ALA   8          2HB       ALA   8   3.123  -1.946   2.623
   72   3HB   ALA   8          3HB       ALA   8   2.158  -2.122   4.109
   73    H    PHE   9           H        PHE   9   1.653  -0.970  -0.043
   74    HA   PHE   9           HA       PHE   9   3.560   1.080   0.072
   75   1HB   PHE   9          2HB       PHE   9   1.946  -0.504  -1.844
   76   2HB   PHE   9          1HB       PHE   9   2.437   1.083  -2.502
   77    HD1  PHE   9           1HD      PHE   9   4.228   0.864  -3.925
   78    HD2  PHE   9           2HD      PHE   9   4.134  -1.514  -0.412
   79    HE1  PHE   9           1HE      PHE   9   6.485  -0.072  -4.499
   80    HE2  PHE   9           2HE      PHE   9   6.391  -2.451  -0.985
   81    HZ   PHE   9           HZ       PHE   9   7.540  -1.719  -3.021
   82    H    ARG  10           H        ARG  10   0.040   1.083   0.055
   83    HA   ARG  10           HA       ARG  10  -0.223   3.653  -1.047
   84   1HB   ARG  10          2HB       ARG  10  -2.014   1.697   0.392
   85   2HB   ARG  10          1HB       ARG  10  -2.560   3.382   0.262
   86   1HG   ARG  10          2HG       ARG  10  -1.515   2.436  -2.289
   87   2HG   ARG  10          1HG       ARG  10  -2.749   1.315  -1.676
   88   1HD   ARG  10          2HD       ARG  10  -3.276   4.287  -1.581
   89   2HD   ARG  10          1HD       ARG  10  -3.393   3.452  -3.142
   90    HE   ARG  10           HE       ARG  10  -4.897   1.847  -1.543
   91   1HH1  ARG  10          2HH2      ARG  10  -4.863   5.375  -1.873
   92   2HH1  ARG  10          1HH2      ARG  10  -6.533   5.555  -1.450
   93   1HH2  ARG  10          2HH1      ARG  10  -7.064   2.064  -0.993
   94   2HH2  ARG  10          1HH1      ARG  10  -7.816   3.681  -0.942
   95    H    SER  11           H        SER  11   0.565   2.354   2.120
   96    HA   SER  11           HA       SER  11  -0.316   4.614   3.574
   97   1HB   SER  11          2HB       SER  11   1.794   3.136   4.883
   98   2HB   SER  11          1HB       SER  11   0.076   3.253   5.338
   99    HG   SER  11           HG       SER  11   1.413   1.149   4.215
  100    H    MET  12           H        MET  12   2.364   3.925   1.513
  101    HA   MET  12           HA       MET  12   4.153   5.696   2.892
  102   1HB   MET  12          2HB       MET  12   4.250   3.634   0.846
  103   2HB   MET  12          1HB       MET  12   5.112   5.075   0.262
  104   1HG   MET  12          2HG       MET  12   5.584   3.755   2.957
  105   2HG   MET  12          1HG       MET  12   6.588   3.442   1.527
  106   1HE   MET  12          1HE       MET  12   9.268   5.417   2.746
  107   2HE   MET  12          2HE       MET  12   8.560   3.952   2.023
  108   3HE   MET  12          3HE       MET  12   8.856   5.388   1.014
  109    H    PHE  13           H        PHE  13   1.569   5.950   0.648
  110    HA   PHE  13           HA       PHE  13   2.544   7.959  -1.039
  111   1HB   PHE  13          2HB       PHE  13   0.215   6.439  -0.479
  112   2HB   PHE  13          1HB       PHE  13  -0.319   8.139  -0.354
  113    HD1  PHE  13           1HD      PHE  13   1.747   6.014  -2.638
  114    HD2  PHE  13           2HD      PHE  13  -1.161   9.081  -2.271
  115    HE1  PHE  13           1HE      PHE  13   1.566   6.141  -5.138
  116    HE2  PHE  13           2HE      PHE  13  -1.343   9.209  -4.771
  117    HZ   PHE  13           HZ       PHE  13   0.023   7.737  -6.175
  118    HA   PRO  14           HA       PRO  14   0.615  10.908   2.129
  119   1HB   PRO  14          2HB       PRO  14  -0.156   9.972   4.569
  120   2HB   PRO  14          1HB       PRO  14  -1.275  10.181   3.223
  121   1HG   PRO  14          2HG       PRO  14  -0.116   7.706   4.325
  122   2HG   PRO  14          1HG       PRO  14  -1.533   7.890   3.281
  123   1HD   PRO  14          2HD       PRO  14   1.120   7.041   2.530
  124   2HD   PRO  14          1HD       PRO  14  -0.291   7.293   1.440
  125    H    SER  15           H        SER  15   2.751   8.431   3.135
  126    HA   SER  15           HA       SER  15   3.981  10.152   5.065
  127   1HB   SER  15          2HB       SER  15   3.866   7.812   5.554
  128   2HB   SER  15          1HB       SER  15   4.669   7.371   4.027
  129    HG   SER  15           HG       SER  15   6.007   9.099   5.879
  130    H    SER  16           H        SER  16   4.263   9.309   1.663
  131    HA   SER  16           HA       SER  16   6.977   9.938   1.379
  132   1HB   SER  16          2HB       SER  16   4.648   9.404  -0.355
  133   2HB   SER  16          1HB       SER  16   5.923  10.386  -1.118
  134    HG   SER  16           HG       SER  16   6.972   8.556  -1.433
  135    H    GLU  17           H        GLU  17   4.070  11.828   1.785
  136    HA   GLU  17           HA       GLU  17   5.311  14.157   0.604
  137   1HB   GLU  17          2HB       GLU  17   2.523  13.484   1.565
  138   2HB   GLU  17          1HB       GLU  17   3.003  15.181   1.341
  139   1HG   GLU  17          2HG       GLU  17   3.343  14.856  -0.993
  140   2HG   GLU  17          1HG       GLU  17   3.437  13.089  -0.821
  141    HE2  GLU  17           HE2      GLU  17  -0.016  14.810  -1.532